| Human herpesvirus 1 DNA polymerase |
MP |
= |
37.0 |
% |
Percentage of monophosphates (MP) formed in the first step of staggered assay compound was incubated with HSV-1 thymidine kinase for 4 hr |
CHEMBL1124020 |
| Human herpesvirus 1 DNA polymerase |
MP |
= |
3.0 |
% |
Percentage of monophosphates (MP) in the second step of staggered assay mixture from step 1 was incubated with GMP kinase and crude extract of HSV-1 infected HeLa cells over night |
CHEMBL1124020 |
| Human herpesvirus 1 DNA polymerase |
DP |
= |
13.0 |
% |
Percentage of diphosphates (DP) in the second step of staggered assay mixture from step 1 was incubated with GMP kinase and crude extract of HSV-1 infected HeLa cells over night |
CHEMBL1124020 |
| Human herpesvirus 1 DNA polymerase |
TP |
= |
75.0 |
% |
Percentage of triphosphates (TP) in the second step of staggered assay mixture from step 1 was incubated with GMP kinase and crude extract of HSV-1 infected HeLa cells over night |
CHEMBL1124020 |
| Human herpesvirus 1 DNA polymerase |
Inhibition |
= |
0.0 |
% |
Inhibition of DNA polymerase |
CHEMBL1124020 |
| Unchecked |
Inhibition |
= |
8.0 |
% |
Inhibition of DNA polymerase |
CHEMBL1124020 |
| Oryctolagus cuniculus |
ED50 |
= |
6.0 |
ug ml-1 |
Antiviral activity against HSV-1 cell line (concentration required to prevent viral cytopathic effect in half of primary rabbit kidney cell cultures) |
CHEMBL1124020 |
| Oryctolagus cuniculus |
ED50 |
= |
12.0 |
ug ml-1 |
Antiviral activity against HSV-2 cell line (concentration required to prevent viral cytopathic effect in half of primary rabbit kidney cell cultures) |
CHEMBL1124020 |
| Duck hepatitis B virus |
Inhibition |
|
|
% |
Percent inhibition of viral DNA in the presence of 10 mg/mL compound compared to untreated infected controls in duck hepatocytes; ND means Not determined |
CHEMBL1133838 |
| Nucleic Acid |
EC50 |
= |
0.3 |
ug.mL-1 |
Concentration required to reduce the viral DNA in infected cells to 50% of untreated infected controls. |
CHEMBL1133838 |
| Vero |
EC50 |
|
|
ug.mL-1 |
Concentration required to inhibit plaque formation by HSV-1 strain KOSSB (TK-) in monolayers of vero cells; ND means Not determined |
CHEMBL1133838 |
| Vero |
EC50 |
|
|
ug.mL-1 |
Concentration required to inhibit plaque formation by HSV-1 strain KOS (TK+) in monolayers of vero cells; ND means Not determined |
CHEMBL1133838 |
| Vero |
EC50 |
|
|
ug.mL-1 |
Compound was evaluated for cytotoxicity against stationary Vero cells using MTT assay; ND means Not determined |
CHEMBL1133838 |
| Homo sapiens |
EC50 |
|
|
ug.mL-1 |
Concentration required to reduce the proliferation of PHA stimulated human peripheral blood T lymphocytes; ND means Not determined |
CHEMBL1133838 |
| Anas sp. |
EC50 |
= |
0.3 |
ug.mL-1 |
Concentration required to reduce the viral DNA in infected cells to 50% of untreated infected controls of Hepatitis B virus in primary duck hepatocyte (DHBV) cultures. |
CHEMBL1135408 |
| Human herpesvirus 3 |
EC50 |
= |
140.0 |
nM |
The effective concentration to show 50% of activity was measured on varicella zoster virus(VZV) cell culture |
CHEMBL1133761 |
| ADMET |
EC50 |
= |
18000.0 |
nM |
The effective concentration to show 50% of activity was measured on herpes simplex virus-1 with strain KOS cell culture. |
CHEMBL1133761 |
| CCRF-CEM |
ID50 |
> |
100.0 |
|
Dose that inhibited 50% cell growth of human T-lymphoid CEM cells compared with untreated control |
CHEMBL1133761 |
| CCRF-CEM |
ID50 |
> |
200.0 |
|
The mitochondrial toxicity was measured on human T-lymphoid CEM cells. |
CHEMBL1133761 |
| Human herpesvirus 2 |
EC50 |
|
|
nM |
The effective concentration to show 50% of activity was measured on Herpes simplex virus type-2 with strain 300 cell culture;ND means no data |
CHEMBL1133761 |
| Human herpesvirus 4 |
EC50 |
|
|
nM |
The effective concentration to show 50% of activity was measured on Epstein Barr virus(EBV) cell culture; ND means not determined. |
CHEMBL1133761 |
| Vero |
IC50 |
= |
6400.0 |
nM |
Compound was tested for antiviral activity against Herpes Simplex virus Type-1(HFEM) in vero cells |
CHEMBL1123836 |
| Vero |
IC50 |
= |
6400.0 |
nM |
Compound was tested for antiviral activity against Herpes Simplex virus Type-2(MS) in vero cells |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
1300.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-1(HFEM) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
500.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-1(18189) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
600.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-1(19407) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
600.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-1(20132) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
1100.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-2(MS) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
900.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-2(17409) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
800.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-2(20605) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| MRC5 |
IC90 |
= |
900.0 |
nM |
compound was tested for antiviral activity against Herpes Simplex virus Type-2(21929) in human lung fibroblasts (MRC-5) |
CHEMBL1123836 |
| HepG2 |
EC50 |
>= |
100000.0 |
nM |
Tested for the effective concentration required to inhibit HBV in HepG2.2.15 human liver cells |
CHEMBL1130554 |
| Human immunodeficiency virus 1 |
Inhibition |
|
|
% |
Antiviral activity against HIV-1 was determined; No inhibition |
CHEMBL1124905 |
| Human herpesvirus 5 |
Inhibition |
|
|
% |
Antiviral activity against HCMV was determined; No inhibition |
CHEMBL1124905 |
| Human herpesvirus 1 |
EC50 |
= |
8650.0 |
nM |
Compound was tested for in vitro antiviral activity against herpes viruses of type 1 (HSV-1,KOS strain) (concentration required to reduce the OD value by 50% of the virus infected control) |
CHEMBL1131079 |
| Vero |
CC50 |
> |
500000.0 |
nM |
Compound was tested for cytotoxicity in Vero cells (concentration required to reduce the OD value by 50% of the control) |
CHEMBL1131079 |
| Mus musculus |
Dose |
= |
3.0 |
% |
The total amount of penciclovir recovered in the urine over a 48-h period was determined by HPLC using a C18 reversed-phase column in mouse. |
CHEMBL1131079 |
| Rattus norvegicus |
Dose |
= |
9.0 |
% |
The total amount of penciclovir recovered in the urine over a 48-h period was determined by HPLC using a C18 reversed-phase column in rat. |
CHEMBL1131079 |
| Human herpesvirus 1 |
IC50 |
= |
3900.0 |
nM |
Inhibitory activity against herpes simplex virus type 1 (HSV-1) strain SC16 in Vero cells. |
CHEMBL1129482 |
| ADMET |
IC50 |
= |
12800.0 |
nM |
Inhibitory activity against herpes simplex virus type 2 (HSV 2) strain 186 in Vero cells. |
CHEMBL1129482 |
| Human herpesvirus 3 |
IC50 |
= |
78700.0 |
nM |
Inhibitory activity against varicella zoster virus (VZV) strain G31 in MRC-5 cells. |
CHEMBL1129482 |
| Human herpesvirus 5 |
IC50 |
> |
100000.0 |
nM |
Inhibitory activity against human cytomegalovirus (HCMV) strain AD169 in MRC-5 cells. |
CHEMBL1129482 |
| MRC5 |
IC50 |
= |
0.54 |
ug.mL-1 |
Tested for Antiherpetic activity against HSV-1 from Tomioka strain in MRC-5 cell lines. |
CHEMBL1133668 |
| MRC5 |
IC50 |
= |
1.2 |
ug.mL-1 |
Tested for Antiherpetic activity against HSV-2 from 186 strain in MRC-5 cell lines. |
CHEMBL1133668 |
| HEL |
IC50 |
= |
5.6 |
ug.mL-1 |
Tested for Antiherpetic activity against VZV from Kawaguchi strain in HEL cell lines. |
CHEMBL1133668 |
| HEL |
IC50 |
= |
10.0 |
ug.mL-1 |
Tested for Antiherpetic activity against VZV from clinical isolates of HEL cell lines.(average of 11 isolates) |
CHEMBL1133668 |
| HepG2 |
EC50 |
= |
190.0 |
nM |
Effective concentration necessary to decrease extracellular Hepatitis B virus DNA levels by 50% in human hepatoblastoma cell line (2.2.15 cells) in vitro |
CHEMBL1130525 |
| HepG2 |
EC90 |
= |
0.92 |
uM |
Effective concentration necessary to decrease extracellular Hepatitis B virus DNA levels by 90% in human hepatoblastoma cell line (2.2.15 cells) in vitro |
CHEMBL1130525 |
| HepG2 |
IC50 |
= |
433000.0 |
nM |
Cytotoxicity towards human hepatoblastoma cell line (2.2.15 cells) measured by inhibition of neutral red dye uptake in vitro |
CHEMBL1130525 |
| Unchecked |
Ratio |
= |
471.0 |
|
In vitro selectivity index measured for IC50 to that of EC90 was determined in human hepatoblastoma cell line (2.2.15 cells) |
CHEMBL1130525 |
| Hepatitis B virus |
EC50 |
= |
700.0 |
nM |
In vitro antiviral activity against duck hepatitis B virus (DHBV) |
CHEMBL1134840 |
| Vero |
EC50 |
= |
8100.0 |
nM |
Compound was tested for its antiviral activity against HSV-1(KOS strain) in vero cells |
CHEMBL1129136 |
| Mus musculus |
Dose (urinary recovery) |
= |
9.0 |
% |
Compound was tested to determine the total amount of penciclovir recovered in the urine over a 48-h period after a single oral dose of 0.2 mmol/kg. |
CHEMBL1129136 |
| Mus musculus |
Concentration |
= |
4.9 |
uM |
Concentration of 9-[4-Hydroxy-3-(hydroxymethyl)but-1-yl)guanine in blood of mice after 0.25 hours upon oral administration |
CHEMBL1124547 |
| Mus musculus |
Concentration |
= |
4.0 |
uM |
Concentration of 9-[4-Hydroxy-3-(hydroxymethyl)but-1-yl)guanine in blood of mice after 1 hour upon oral administration |
CHEMBL1124547 |
| Mus musculus |
Concentration |
= |
1.1 |
uM |
Concentration of 9-[4-Hydroxy-3-(hydroxymethyl)but-1-yl)guanine in blood of mice after 3 hours upon oral administration |
CHEMBL1124547 |
| No relevant target |
Solubility |
= |
3000.0 |
ug.mL-1 |
Aqueous solubility at 25 degrees Centigrade |
CHEMBL1124547 |
| Unchecked |
IC50 |
> |
50000.0 |
nM |
Inhibition of recombinant VZV TK assessed as [CH3-H3]dThd phosphorylation |
CHEMBL1142866 |
| Thymidine kinase |
IC50 |
= |
11000.0 |
nM |
Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation |
CHEMBL1142866 |
| OST |
Activity |
|
|
|
Cytostatic activity against OST TK-/HSV1 TK+ cells at 0.038 uM |
CHEMBL1142866 |
| Thymidine kinase |
IC50 |
= |
84400.0 |
nM |
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation |
CHEMBL1145504 |
| Macacine herpesvirus 1 |
EC50 |
= |
17000.0 |
nM |
Antiviral activity against Herpes B virus 24105 infected in african green monkey Vero cells assessed as plaque reduction after 36 to 48 hrs |
CHEMBL1145504 |
| Macacine herpesvirus 1 |
EC50 |
= |
25300.0 |
nM |
Antiviral activity against Herpes B virus 32425 infected in african green monkey Vero cells assessed as plaque reduction after 36 to 48 hrs |
CHEMBL1145504 |
| Macacine herpesvirus 1 |
EC50 |
= |
17300.0 |
nM |
Antiviral activity against Herpes B virus E90-136 infected in african green monkey Vero cells assessed as plaque reduction after 36 to 48 hrs |
CHEMBL1145504 |
| Human herpesvirus 1 |
EC50 |
= |
4700.0 |
nM |
Antiviral activity against Herpes simplex virus 1 F infected in african green monkey Vero cells assessed as plaque reduction after 36 to 48 hrs |
CHEMBL1145504 |
| Vero |
CC50 |
> |
790000.0 |
nM |
Cytotoxicity against african green monkey Vero cells after 2 days |
CHEMBL1145504 |
| Thymidine kinase |
Activity |
= |
72.0 |
% |
Activity of Herpes B virus recombinant thymidine kinase at 100 uM |
CHEMBL1145504 |
| Hepatitis B virus |
IC50 |
= |
103000.0 |
nM |
Antiviral activity against Hepatitis B virus |
CHEMBL1136837 |
| Homo sapiens |
CL |
= |
8.4 |
mL.min-1.kg-1 |
Total body clearance in human |
CHEMBL1151930 |
| Homo sapiens |
CL_renal |
= |
6.7 |
mL.min-1.kg-1 |
Renal clearance in human |
CHEMBL1151930 |
| Homo sapiens |
Vdss |
= |
1.1 |
L.kg-1 |
Volume of distribution at steady state in human |
CHEMBL1156824 |
| Homo sapiens |
CL |
= |
1.7 |
mL.min-1.kg-1 |
Hepatic clearance in human |
CHEMBL1156824 |
| Homo sapiens |
CL_renal |
= |
6.7 |
mL.min-1.kg-1 |
Renal clearance in human |
CHEMBL1156824 |
| Homo sapiens |
CL |
= |
8.4 |
mL.min-1.kg-1 |
Total clearance in human |
CHEMBL1156824 |
| Homo sapiens |
F_fraction |
= |
0.05 |
|
Oral bioavailability in human |
CHEMBL1156824 |
| Homo sapiens |
Fa |
= |
0.1 |
|
Fraction absorbed in human |
CHEMBL1156824 |
| Homo sapiens |
Fg |
= |
0.54 |
|
Fraction escaping gut-wall elimination in human |
CHEMBL1156824 |
| Plasma |
Fu |
= |
0.84 |
|
Fraction unbound in human plasma |
CHEMBL1156824 |
| Homo sapiens |
Fh |
= |
0.93 |
|
Fraction escaping hepatic elimination in human |
CHEMBL1156824 |
| NON-PROTEIN TARGET |
Fu |
= |
0.84 |
|
Fraction unbound in human after iv administration |
CHEMBL1614632 |
| ADMET |
Vdss |
= |
1.1 |
L.kg-1 |
Volume of distribution at steady state in human after iv administration |
CHEMBL1614632 |
| ADMET |
T1/2 |
= |
2.1 |
hr |
Half life in human after iv administration |
CHEMBL1614632 |
| ADMET |
MRT |
= |
2.4 |
hr |
Mean residence time in human after iv administration |
CHEMBL1614632 |
| ADMET |
CL |
= |
8.4 |
mL.min-1.kg-1 |
Clearance in human after iv administration |
CHEMBL1614632 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of vomiting at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
27.8 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of vomiting at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
11.3 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of diarrhea administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
18.8 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of diarrhea at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.3 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of diarrhea at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
11.1 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of diarrhea at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
45.3 |
% |
Toxicity in orally dosed VZV-infected patient assessed as at least one adverse event administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
43.8 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as at least one adverse event at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
52.6 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as at least one adverse event at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
38.9 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as at least one adverse event at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
4.3 |
% |
Toxicity in orally dosed HSV-infected patient assessed as pyrexia administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as pyrexia at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as pyrexia at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
15.4 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as pyrexia at 30.9 mg/kg, po administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
4.3 |
% |
Toxicity in orally dosed HSV-infected patient assessed as incidence of abdominal pain administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.6 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as incidence of abdominal pain at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as incidence of abdominal pain at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as incidence of abdominal pain at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.4 |
% |
Toxicity in orally dosed HSV-infected patient assessed as incidence of cough administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.6 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as incidence of cough at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as incidence of cough at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
7.7 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as incidence of cough at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.4 |
% |
Toxicity in orally dosed HSV-infected patient assessed as incidence of nausea administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
11.1 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as incidence of nausea at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as incidence of nausea at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
7.7 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as incidence of nausea at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
8.5 |
% |
Toxicity in orally dosed HSV-infected patient assessed as incidence of headache administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
22.2 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as incidence of headache at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as incidence of headache at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as incidence of headache at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
8.5 |
% |
Toxicity in orally dosed HSV-infected patient assessed as incidence of diarrhea administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
11.1 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as incidence of diarrhea at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as incidence of diarrhea at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
7.7 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as incidence of diarrhea at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
10.6 |
% |
Toxicity in orally dosed HSV-infected patient assessed as incidence of vomiting administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
11.1 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as incidence of vomiting at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as incidence of vomiting at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
15.4 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as incidence of vomiting at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
55.3 |
% |
Toxicity in orally dosed HSV-infected patient assessed as at least one adverse event administered as bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
66.7 |
% |
Toxicity in HSV-infected 6 to <=12 years aged pediatric patient assessed as at least one adverse event at 23.5 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
50.0 |
% |
Toxicity in HSV-infected 2 to <6 years aged pediatric patient assessed as at least one adverse event at 27.6 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
42.2 |
% |
Toxicity in HSV-infected 1 to <2 years aged pediatric patient assessed as at least one adverse event at 30.9 mg/kg, po bid |
CHEMBL1649203 |
| Homo sapiens |
CL/F |
= |
34.7 |
L/hr |
Apparent oral clearance in 6 to <=12 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
CL/F |
= |
24.6 |
L/hr |
Apparent oral clearance in 2 to <6 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
CL/F |
= |
16.7 |
L/hr |
Apparent oral clearance in 1 to <2 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
T1/2 |
= |
1.62 |
hr |
Half life in 6 to <=12 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
T1/2 |
= |
1.28 |
hr |
Half life in 2 to <6 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
T1/2 |
= |
1.2 |
hr |
Half life in 1 to <2 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
AUC |
= |
9330.0 |
ng.hr.mL-1 |
AUC (0 to infinity) in 6 to <=12 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
AUC |
= |
7230.0 |
ng.hr.mL-1 |
AUC (0 to infinity) in 2 to <6 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
AUC |
= |
7160.0 |
ng.hr.mL-1 |
AUC (0 to infinity) in 1 to <2 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
AUC |
= |
7980.0 |
ng.hr.mL-1 |
AUC (0 to last) in 6 to <=12 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
AUC |
= |
6310.0 |
ng.hr.mL-1 |
AUC (0 to last) in 2 to <6 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
AUC |
= |
6520.0 |
ng.hr.mL-1 |
AUC (0 to last) in 1 to <2 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Cmax |
= |
13464.42 |
nM |
Cmax in 6 to <=12 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Cmax |
= |
10976.86 |
nM |
Cmax in 2 to <6 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Cmax |
= |
12082.44 |
nM |
Cmax in 1 to <2 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Tmax |
= |
1.0 |
hr |
Tmax in 6 to <=12 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Tmax |
= |
1.07 |
hr |
Tmax in 2 to <6 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Tmax |
= |
1.08 |
hr |
Tmax in 1 to <2 years aged pediatric patient administered as single dose |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of vomiting at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
9.4 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of vomiting administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
11.1 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as pyrexia at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.3 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as pyrexia at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as pyrexia at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
7.5 |
% |
Toxicity in orally dosed VZV-infected patient assessed as pyrexia administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of abdominal pain at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of abdominal pain at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
12.5 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of abdominal pain at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
3.8 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of abdominal pain administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of nausea at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.3 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of nausea at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of nausea at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
3.8 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of nausea administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of cellulitis at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.3 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of cellulitis at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of cellulitis at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
3.8 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of cellulitis administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of headache at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of headache at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
12.5 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of headache at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
3.8 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of headache administered as tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
5.6 |
% |
Toxicity in VZV-infected 1 to <2 years aged pediatric patient assessed as incidence of pruritus at 40.8 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
0.0 |
% |
Toxicity in VZV-infected 2 to <6 years aged pediatric patient assessed as incidence of pruritus at 40.6 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
6.3 |
% |
Toxicity in VZV-infected 6 to <=12 years aged pediatric patient assessed as incidence of pruritus at 35.5 mg/kg, po tid |
CHEMBL1649203 |
| Homo sapiens |
Activity |
= |
3.8 |
% |
Toxicity in orally dosed VZV-infected patient assessed as incidence of pruritus administered as tid |
CHEMBL1649203 |
| Hepatitis B virus |
EC50 |
= |
3400.0 |
nM |
Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cells assessed as reduction in viral DNA by Southern blotting |
CHEMBL1681755 |
| NON-PROTEIN TARGET |
CC50 |
= |
552000.0 |
nM |
Cytotoxicity against human HepG2(2.2.15) cells by neutral red dye uptake assay |
CHEMBL1681755 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans |
CHEMBL1697731 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents |
CHEMBL1697731 |
| Hepatotoxicity |
Hepatotoxicity |
|
|
|
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents |
CHEMBL1697731 |
| Hepatotoxicity |
Composite Activity - Score |
|
|
|
FDA HLAED, liver enzyme composite activity |
CHEMBL1697781 |
| Hepatotoxicity |
Composite Activity - Active |
= |
0.0 |
|
FDA HLAED, liver enzyme composite activity |
CHEMBL1697781 |
| Hepatotoxicity |
Composite Activity - Marginal |
= |
0.0 |
|
FDA HLAED, liver enzyme composite activity |
CHEMBL1697781 |
| Hepatotoxicity |
Alkaline Phosphatase Increase - Activity Score |
|
|
|
FDA HLAED, alkaline phosphatase increase |
CHEMBL1697781 |
| Hepatotoxicity |
Alkaline Phosphatase Increase - Index Value |
= |
0.0 |
|
FDA HLAED, alkaline phosphatase increase |
CHEMBL1697781 |
| Hepatotoxicity |
Alkaline Phosphatase Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, alkaline phosphatase increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGOT Increase - Activity Score |
|
|
|
FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGOT Increase - Index Value |
= |
0.0 |
|
FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGOT Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGPT Increase - Activity Score |
|
|
|
FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGPT Increase - Index Value |
= |
0.0 |
|
FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
SGPT Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
LDH Increase - Activity Score |
|
|
|
FDA HLAED, lactate dehydrogenase (LDH) increase |
CHEMBL1697781 |
| Hepatotoxicity |
LDH Increase - Index Value |
= |
0.0 |
|
FDA HLAED, lactate dehydrogenase (LDH) increase |
CHEMBL1697781 |
| Hepatotoxicity |
LDH Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, lactate dehydrogenase (LDH) increase |
CHEMBL1697781 |
| Hepatotoxicity |
GGT Increase - Activity Score |
|
|
|
FDA HLAED, gamma-glutamyl transferase (GGT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
GGT Increase - Index Value |
= |
0.0 |
|
FDA HLAED, gamma-glutamyl transferase (GGT) increase |
CHEMBL1697781 |
| Hepatotoxicity |
GGT Increase - Number of Reports |
< |
4.0 |
|
FDA HLAED, gamma-glutamyl transferase (GGT) increase |
CHEMBL1697781 |
| Acetylcholinesterase |
IC50 |
|
|
|
DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) |
CHEMBL1909046 |
| Acetylcholinesterase |
Ki |
|
|
|
DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) |
CHEMBL1909046 |
| Adenosine A1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) |
CHEMBL1909046 |
| Adenosine A1 receptor |
Ki |
|
|
|
DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) |
CHEMBL1909046 |
| Adenosine A2a receptor |
IC50 |
|
|
|
DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Adenosine A2a receptor |
Ki |
|
|
|
DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Adenosine A3 receptor |
IC50 |
|
|
|
DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Adenosine A3 receptor |
Ki |
|
|
|
DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine) |
CHEMBL1909046 |
| Alpha-1a adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1a adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1b adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1b adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1d adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-1d adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) |
CHEMBL1909046 |
| Alpha-2a adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) |
CHEMBL1909046 |
| Alpha-2a adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) |
CHEMBL1909046 |
| Alpha-2b adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) |
CHEMBL1909046 |
| Alpha-2b adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) |
CHEMBL1909046 |
| Alpha-2c adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) |
CHEMBL1909046 |
| Alpha-2c adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) |
CHEMBL1909046 |
| Beta-1 adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Beta-1 adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Beta-2 adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) |
CHEMBL1909046 |
| Beta-2 adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) |
CHEMBL1909046 |
| Beta-3 adrenergic receptor |
IC50 |
|
|
|
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Beta-3 adrenergic receptor |
Ki |
|
|
|
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Norepinephrine transporter |
IC50 |
|
|
|
DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Norepinephrine transporter |
Ki |
|
|
|
DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Aldose reductase |
IC50 |
|
|
|
DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) |
CHEMBL1909046 |
| Aldose reductase |
Ki |
|
|
|
DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) |
CHEMBL1909046 |
| Angiotensin II type 2 (AT-2) receptor |
IC50 |
|
|
|
DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) |
CHEMBL1909046 |
| Angiotensin II type 2 (AT-2) receptor |
Ki |
|
|
|
DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Atrial Natriuretic Factor (ANF) radioligand binding (ligand: [125I] ANF (rat)) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Atrial Natriuretic Factor (ANF) radioligand binding (ligand: [125I] ANF (rat)) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin) |
CHEMBL1909046 |
| Bradykinin B2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) |
CHEMBL1909046 |
| Bradykinin B2 receptor |
Ki |
|
|
|
DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) |
CHEMBL1909046 |
| Calcitonin receptor |
IC50 |
|
|
|
DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) |
CHEMBL1909046 |
| Calcitonin receptor |
Ki |
|
|
|
DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Benzothiazepine radioligand binding (ligand: [3H] Diltiazem) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Benzothiazepine radioligand binding (ligand: [3H] Diltiazem) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Dihydropyridine radioligand binding (ligand: [3H] Nitrendipine) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Dihydropyridine radioligand binding (ligand: [3H] Nitrendipine) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Phenylalkylamine radioligand binding (ligand: [3H] (-)-Desmethoxyverapamil (D-888)) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Calcium Channel Type L, Phenylalkylamine radioligand binding (ligand: [3H] (-)-Desmethoxyverapamil (D-888)) |
CHEMBL1909046 |
| Cannabinoid CB1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) |
CHEMBL1909046 |
| Cannabinoid CB1 receptor |
Ki |
|
|
|
DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) |
CHEMBL1909046 |
| Carbonic anhydrase II |
IC50 |
|
|
|
DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) |
CHEMBL1909046 |
| Carbonic anhydrase II |
Ki |
|
|
|
DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) |
CHEMBL1909046 |
| C-C chemokine receptor type 2 |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) |
CHEMBL1909046 |
| C-C chemokine receptor type 2 |
Ki |
|
|
|
DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) |
CHEMBL1909046 |
| C-C chemokine receptor type 4 |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) |
CHEMBL1909046 |
| C-C chemokine receptor type 4 |
Ki |
|
|
|
DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) |
CHEMBL1909046 |
| C-C chemokine receptor type 5 |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) |
CHEMBL1909046 |
| C-C chemokine receptor type 5 |
Ki |
|
|
|
DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) |
CHEMBL1909046 |
| Interleukin-8 receptor A |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CXCR1 (IL-8A) |
CHEMBL1909046 |
| Interleukin-8 receptor A |
Ki |
|
|
|
DRUGMATRIX: Chemokine CXCR1 (IL-8A) |
CHEMBL1909046 |
| Interleukin-8 receptor B |
IC50 |
|
|
|
DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) |
CHEMBL1909046 |
| Interleukin-8 receptor B |
Ki |
|
|
|
DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) |
CHEMBL1909046 |
| Cholecystokinin A receptor |
IC50 |
|
|
|
DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) |
CHEMBL1909046 |
| Cholecystokinin A receptor |
Ki |
|
|
|
DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) |
CHEMBL1909046 |
| Cyclooxygenase-1 |
IC50 |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cyclooxygenase-1 |
Ki |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cyclooxygenase-2 |
IC50 |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cyclooxygenase-2 |
Ki |
|
|
|
DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) |
CHEMBL1909046 |
| Cytochrome P450 1A2 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 1A2 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2A6 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2A6 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C19 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C19 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C9 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2C9 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2D6 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2D6 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2E1 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 2E1 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) |
CHEMBL1909046 |
| Cytochrome P450 3A4 |
IC50 |
|
|
|
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) |
CHEMBL1909046 |
| Cytochrome P450 3A4 |
Ki |
|
|
|
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) |
CHEMBL1909046 |
| Dopamine D1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) |
CHEMBL1909046 |
| Dopamine D1 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) |
CHEMBL1909046 |
| Dopamine D2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D2 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D3 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D3 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D4 receptor |
IC50 |
|
|
|
DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine D4 receptor |
Ki |
|
|
|
DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone) |
CHEMBL1909046 |
| Dopamine transporter |
IC50 |
|
|
|
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Dopamine transporter |
Ki |
|
|
|
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) |
CHEMBL1909046 |
| Endothelin receptor ET-A |
IC50 |
|
|
|
DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) |
CHEMBL1909046 |
| Endothelin receptor ET-A |
Ki |
|
|
|
DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) |
CHEMBL1909046 |
| Estrogen receptor alpha |
IC50 |
|
|
|
DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Estrogen receptor alpha |
Ki |
|
|
|
DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Estrogen receptor beta |
IC50 |
|
|
|
DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Estrogen receptor beta |
Ki |
|
|
|
DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: GABAA, Muscimol, Central radioligand binding (ligand: [3H] Muscimol) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: GABAA, Muscimol, Central radioligand binding (ligand: [3H] Muscimol) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: GABAA, Flunitrazepam, Central radioligand binding (ligand: [3H] Flunitrazepam) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: GABAA, Flunitrazepam, Central radioligand binding (ligand: [3H] Flunitrazepam) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: GABAA, Chloride Channel, TBOB radioligand binding (ligand: [3H] TBOB) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: GABAA, Chloride Channel, TBOB radioligand binding (ligand: [3H] TBOB) |
CHEMBL1909046 |
| Glucocorticoid receptor |
IC50 |
|
|
|
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) |
CHEMBL1909046 |
| Glucocorticoid receptor |
Ki |
|
|
|
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, AMPA radioligand binding (ligand: [3H] AMPA) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, AMPA radioligand binding (ligand: [3H] AMPA) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, Kainate radioligand binding (ligand: [3H] Kainic acid) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, Kainate radioligand binding (ligand: [3H] Kainic acid) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Agonism radioligand binding (ligand: [3H] CGP-39653) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Agonism radioligand binding (ligand: [3H] CGP-39653) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Phencyclidine radioligand binding (ligand: [3H] TCP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Glutamate, NMDA, Phencyclidine radioligand binding (ligand: [3H] TCP) |
CHEMBL1909046 |
| Glycine receptor |
IC50 |
|
|
|
DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) |
CHEMBL1909046 |
| Glycine receptor |
Ki |
|
|
|
DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) |
CHEMBL1909046 |
| Histamine H1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) |
CHEMBL1909046 |
| Histamine H1 receptor |
Ki |
|
|
|
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) |
CHEMBL1909046 |
| Histamine H2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) |
CHEMBL1909046 |
| Histamine H2 receptor |
Ki |
|
|
|
DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) |
CHEMBL1909046 |
| HMG-CoA reductase |
IC50 |
|
|
|
DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) |
CHEMBL1909046 |
| HMG-CoA reductase |
Ki |
|
|
|
DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) |
CHEMBL1909046 |
| Insulin receptor |
IC50 |
|
|
|
DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) |
CHEMBL1909046 |
| Insulin receptor |
Ki |
|
|
|
DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Interleukin IL-1 radioligand binding (ligand: [125I] interleukin 1beta) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Interleukin IL-1 radioligand binding (ligand: [125I] interleukin 1beta) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Leukotriene, BLT (LTB4) radioligand binding (ligand: [3H]LTB4) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Leukotriene, BLT (LTB4) radioligand binding (ligand: [3H]LTB4) |
CHEMBL1909046 |
| Leukotriene C4 synthase |
IC50 |
|
|
|
DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) |
CHEMBL1909046 |
| Leukotriene C4 synthase |
Ki |
|
|
|
DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) |
CHEMBL1909046 |
| Cysteinyl leukotriene receptor 1 |
IC50 |
|
|
|
DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) |
CHEMBL1909046 |
| Cysteinyl leukotriene receptor 1 |
Ki |
|
|
|
DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) |
CHEMBL1909046 |
| Arachidonate 15-lipoxygenase |
IC50 |
|
|
|
DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) |
CHEMBL1909046 |
| Arachidonate 15-lipoxygenase |
Ki |
|
|
|
DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) |
CHEMBL1909046 |
| Melanocortin receptor 3 |
IC50 |
|
|
|
DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 3 |
Ki |
|
|
|
DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 4 |
IC50 |
|
|
|
DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 4 |
Ki |
|
|
|
DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 5 |
IC50 |
|
|
|
DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Melanocortin receptor 5 |
Ki |
|
|
|
DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) |
CHEMBL1909046 |
| Monoamine oxidase A |
IC50 |
|
|
|
DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) |
CHEMBL1909046 |
| Monoamine oxidase A |
Ki |
|
|
|
DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M1 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M1 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M2 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M2 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M3 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M3 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M4 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M4 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M5 |
IC50 |
|
|
|
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Muscarinic acetylcholine receptor M5 |
Ki |
|
|
|
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 1 |
IC50 |
|
|
|
DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 1 |
Ki |
|
|
|
DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 2 |
IC50 |
|
|
|
DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Neuropeptide Y receptor type 2 |
Ki |
|
|
|
DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Nicotinic Acetylcholine radioligand binding (ligand: [125I] Epibatidine) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Nicotinic Acetylcholine radioligand binding (ligand: [125I] Epibatidine) |
CHEMBL1909046 |
| Nitric-oxide synthase, brain |
IC50 |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) |
CHEMBL1909046 |
| Nitric-oxide synthase, brain |
Ki |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) |
CHEMBL1909046 |
| Nitric oxide synthase, inducible |
IC50 |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) |
CHEMBL1909046 |
| Nitric oxide synthase, inducible |
Ki |
|
|
|
DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) |
CHEMBL1909046 |
| Delta opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) |
CHEMBL1909046 |
| Delta opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) |
CHEMBL1909046 |
| Kappa opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Kappa opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Mu opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Mu opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Phorbol Ester radioligand binding (ligand: [3H] PDBu) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Phorbol Ester radioligand binding (ligand: [3H] PDBu) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE3 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE3 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP) |
CHEMBL1909046 |
| Phosphodiesterase 5A |
IC50 |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) |
CHEMBL1909046 |
| Phosphodiesterase 5A |
Ki |
|
|
|
DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) |
CHEMBL1909046 |
| Platelet activating factor receptor |
IC50 |
|
|
|
DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) |
CHEMBL1909046 |
| Platelet activating factor receptor |
Ki |
|
|
|
DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Platelet-Derived Growth Factor (PDGF) radioligand binding (ligand: [125I] PDGF) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Platelet-Derived Growth Factor (PDGF) radioligand binding (ligand: [125I] PDGF) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Potassium Channel [KATP] radioligand binding (ligand: [3H] Glyburide) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Potassium Channel [KATP] radioligand binding (ligand: [3H] Glyburide) |
CHEMBL1909046 |
| HERG |
IC50 |
|
|
|
DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) |
CHEMBL1909046 |
| HERG |
Ki |
|
|
|
DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) |
CHEMBL1909046 |
| Progesterone receptor |
IC50 |
|
|
|
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) |
CHEMBL1909046 |
| Progesterone receptor |
Ki |
|
|
|
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) |
CHEMBL1909046 |
| Angiotensin-converting enzyme |
IC50 |
|
|
|
DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) |
CHEMBL1909046 |
| Angiotensin-converting enzyme |
Ki |
|
|
|
DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) |
CHEMBL1909046 |
| Caspase-1 |
IC50 |
|
|
|
DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) |
CHEMBL1909046 |
| Caspase-1 |
Ki |
|
|
|
DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) |
CHEMBL1909046 |
| Cathepsin G |
IC50 |
|
|
|
DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) |
CHEMBL1909046 |
| Cathepsin G |
Ki |
|
|
|
DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) |
CHEMBL1909046 |
| Leukocyte elastase |
IC50 |
|
|
|
DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) |
CHEMBL1909046 |
| Leukocyte elastase |
Ki |
|
|
|
DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) |
CHEMBL1909046 |
| Matrix metalloproteinase-1 |
IC50 |
|
|
|
DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Matrix metalloproteinase-1 |
Ki |
|
|
|
DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Matrix metalloproteinase 9 |
IC50 |
|
|
|
DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Matrix metalloproteinase 9 |
Ki |
|
|
|
DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) |
CHEMBL1909046 |
| Protein kinase C alpha |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) |
CHEMBL1909046 |
| Protein kinase C alpha |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) |
CHEMBL1909046 |
| MAP kinase ERK1 |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase ERK1 |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase ERK2 |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase ERK2 |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase p38 alpha |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| MAP kinase p38 alpha |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) |
CHEMBL1909046 |
| Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform |
IC50 |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform |
Ki |
|
|
|
DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Epidermal growth factor receptor erbB1 |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Epidermal growth factor receptor erbB1 |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase FYN |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase FYN |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Receptor protein-tyrosine kinase erbB-2 |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Receptor protein-tyrosine kinase erbB-2 |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase LCK |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Tyrosine-protein kinase LCK |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) |
CHEMBL1909046 |
| Leukocyte common antigen |
IC50 |
|
|
|
DRUGMATRIX: Protein Tyrosine Phosphatase, PTPRC (CD45) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Leukocyte common antigen |
Ki |
|
|
|
DRUGMATRIX: Protein Tyrosine Phosphatase, PTPRC (CD45) enzyme inhibition (substrate: DiFMUP) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Purinergic P2X radioligand binding (ligand: [3H] alpha, beta-Methylene-ATP) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Purinergic P2X radioligand binding (ligand: [3H] alpha, beta-Methylene-ATP) |
CHEMBL1909046 |
| Serotonin 1a (5-HT1a) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) |
CHEMBL1909046 |
| Serotonin 1a (5-HT1a) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) |
CHEMBL1909046 |
| Serotonin 1b (5-HT1b) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Serotonin 1b (5-HT1b) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) |
CHEMBL1909046 |
| Serotonin 2a (5-HT2a) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) |
CHEMBL1909046 |
| Serotonin 2a (5-HT2a) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) |
CHEMBL1909046 |
| Serotonin 2b (5-HT2b) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin 2b (5-HT2b) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin 2c (5-HT2c) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) |
CHEMBL1909046 |
| Serotonin 2c (5-HT2c) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630) |
CHEMBL1909046 |
| Serotonin 4 (5-HT4) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) |
CHEMBL1909046 |
| Serotonin 4 (5-HT4) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) |
CHEMBL1909046 |
| Serotonin 6 (5-HT6) receptor |
IC50 |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin 6 (5-HT6) receptor |
Ki |
|
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) |
CHEMBL1909046 |
| Serotonin transporter |
IC50 |
|
|
|
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) |
CHEMBL1909046 |
| Serotonin transporter |
Ki |
|
|
|
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) |
CHEMBL1909046 |
| Sigma opioid receptor |
IC50 |
|
|
|
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) |
CHEMBL1909046 |
| Sigma opioid receptor |
Ki |
|
|
|
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Sodium Channel, Site 2 radioligand binding (ligand: [3H] Batrachotoxin) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Sodium Channel, Site 2 radioligand binding (ligand: [3H] Batrachotoxin) |
CHEMBL1909046 |
| Neurokinin 1 receptor |
IC50 |
|
|
|
DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) |
CHEMBL1909046 |
| Neurokinin 1 receptor |
Ki |
|
|
|
DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) |
CHEMBL1909046 |
| Neurokinin 2 receptor |
IC50 |
|
|
|
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) |
CHEMBL1909046 |
| Neurokinin 2 receptor |
Ki |
|
|
|
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) |
CHEMBL1909046 |
| Androgen Receptor |
IC50 |
|
|
|
DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) |
CHEMBL1909046 |
| Androgen Receptor |
Ki |
|
|
|
DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) |
CHEMBL1909046 |
| Thromboxane-A synthase |
IC50 |
|
|
|
DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) |
CHEMBL1909046 |
| Thromboxane-A synthase |
Ki |
|
|
|
DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) |
CHEMBL1909046 |
| Unchecked |
IC50 |
|
|
|
DRUGMATRIX: Tumor Necrosis Factor (TNF), Non-Selective radioligand binding (ligand: [125I] TNF-alpha) |
CHEMBL1909046 |
| Unchecked |
Ki |
|
|
|
DRUGMATRIX: Tumor Necrosis Factor (TNF), Non-Selective radioligand binding (ligand: [125I] TNF-alpha) |
CHEMBL1909046 |
| Vascular endothelial growth factor receptor 1 |
IC50 |
|
|
|
DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) |
CHEMBL1909046 |
| Vascular endothelial growth factor receptor 1 |
Ki |
|
|
|
DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) |
CHEMBL1909046 |
| Vasoactive intestinal polypeptide receptor 1 |
IC50 |
|
|
|
DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) |
CHEMBL1909046 |
| Vasoactive intestinal polypeptide receptor 1 |
Ki |
|
|
|
DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) |
CHEMBL1909046 |
| Vasopressin V1a receptor |
IC50 |
|
|
|
DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) |
CHEMBL1909046 |
| Vasopressin V1a receptor |
Ki |
|
|
|
DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) |
CHEMBL1909046 |
| Hepatotoxicity |
HepSE_bilirubinemia |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_cholecystitis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_cholelithiasis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_cirrhosis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_elevated liver function tests |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatic failure |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatic necrosis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatitis |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_hepatomegaly |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_jaundice |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_liver disease |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_liver fatty |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_liver function tests abnormal |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal |
CHEMBL1909294 |
| Hepatotoxicity |
HepSE_Combined Scores |
= |
0.0 |
|
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score |
CHEMBL1909294 |
| Human herpesvirus 3 |
IC50 |
= |
16000.0 |
nM |
Antiviral activity against Varicella zoster virus Ellen infected in human MRC5 cells assessed as inhibition of viral replication by viral reduction plaque assay |
CHEMBL2311537 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
1678.9 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Tyrosyl-DNA phosphodiesterase 1 |
Potency |
|
668.4 |
nM |
PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) |
CHEMBL1201862 |
| No relevant target |
pKa_A1 |
|
9.48 |
|
ASTRAZENECA: Most acidic pKa value (pKa A1) determined by absorption and potentiometric titration using standard methodology from Sirius Analytical. Experimental range Acids: <= 11. |
CHEMBL3301361 |
| No relevant target |
pKa_B1 |
|
2.97 |
|
ASTRAZENECA: Most basic pKa value (pKa B1) determined by absorption and potentiometric titration using standard methodology from Sirius Analytical. Experimental range Bases: >= 2. |
CHEMBL3301361 |
| NON-PROTEIN TARGET |
IC50 |
> |
118450.0 |
nM |
DNDI: Cytotoxicity in Vitro, 96 hour, in mouse macrophages (infected-amastigotes) |
CHEMBL3392926 |
| NON-PROTEIN TARGET |
IC50 |
= |
219540.0 |
nM |
DNDI: Cytotoxicity in Vitro, 72 hour, in rat skeletal myoblast cells |
CHEMBL3392926 |
| Plasmodium falciparum |
IC50 |
= |
169390.0 |
nM |
DNDI: Malaria in Vitro, 72 hour |
CHEMBL3392926 |
| Leishmania donovani |
IC50 |
> |
118450.0 |
nM |
DNDI: Leish (macro) in Vitro, 96 hour |
CHEMBL3392926 |
| Leishmania donovani |
IC50 |
> |
394850.0 |
nM |
DNDI: Leish (axenic) in Vitro, 72 hour |
CHEMBL3392926 |
| Trypanosoma cruzi |
IC50 |
= |
254280.0 |
nM |
DNDI: Chagas in Vitro, 96 hour |
CHEMBL3392926 |
| Trypanosoma brucei rhodesiense |
IC50 |
> |
394850.0 |
nM |
DNDI: HAT in Vitro, 72 hour |
CHEMBL3392926 |
| Solute carrier family 22 member 7 |
FC |
= |
21.0 |
|
Drug transport in human OAT2 expressed in HEK Flp-In cells at 0.07 uM for 10 mins relative to control |
CHEMBL3526025 |
| Solute carrier family 22 member 6 |
Drug transport |
|
|
|
Drug transport in human OAT1 expressed in HEK Flp-In cells at 0.07 uM for 10 mins relative to control |
CHEMBL3526025 |
| Solute carrier family 22 member 8 |
Drug transport |
|
|
|
Drug transport in human OAT3 expressed in HEK Flp-In cells at 0.07 uM for 10 mins relative to control |
CHEMBL3526025 |
| POU domain, class 2, transcription factor 2 |
Drug transport |
|
|
|
Drug transport in human OCT2 expressed in HEK Flp-In cells at 0.07 uM for 10 mins relative to control |
CHEMBL3526025 |
| ADMET |
Drug transport |
|
|
|
Drug transport in human ENT in HEK cells in presence of 100 uM ENT inhibitor benzythioinosine |
CHEMBL3526025 |
| POU domain, class 2, transcription factor 2 |
Jmax |
= |
6675.0 |
pmol/min |
Drug transport in human OAT2 expressed in HEK Flp-In cells assessed as maximal rate of transport measured per mg of protein |
CHEMBL3526025 |
| POU domain, class 2, transcription factor 2 |
Km |
= |
284000.0 |
nM |
Drug transport in human OAT2 expressed in HEK Flp-In cells |
CHEMBL3526025 |
| POU domain, class 2, transcription factor 2 |
Ratio |
= |
23.0 |
uL/min |
Transport efficiency, ratio of maximal rate of transport to Km for drug transport in human OAT2 expressed in HEK Flp-In cells measured per mg of protein |
CHEMBL3526025 |
| Galactocerebrosidase |
Potency |
|
707.9 |
nM |
PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
Ac50 |
|
0.631 |
uM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus: Screen2, ratio channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Unchecked |
AC50 |
|
631.0 |
nM |
PubChem BioAssay. qHTS Assay for Identifying Compounds that block Entry of Ebola Virus, Screen 2 ratio channel. (Class of assay: confirmatory) |
CHEMBL1201862 |
| Schistosoma mansoni |
ALT |
= |
48.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALB |
= |
40800.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALP |
= |
360.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
AST |
= |
85.5 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BUN |
= |
178.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CO2 |
= |
26170000.0 |
nM |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHLORIDE |
= |
101.83 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHOL |
= |
710.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CK |
= |
515.17 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CREAT |
= |
2.2 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
GLUC |
= |
1925.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LDH |
= |
214.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LIPASE |
= |
8.5 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PHOS |
= |
129.5 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
POTASSIUM |
= |
6.39 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
SODIUM |
= |
142.38 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BILI |
= |
1.8 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PROT |
= |
59500.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
URATE |
= |
18.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASO |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOS |
= |
42.67 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYM |
= |
10202.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONO |
= |
261.5 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTSG |
= |
2193.83 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASOLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOSLE |
= |
0.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBC |
= |
5630000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HCT |
= |
35.35 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HGB |
= |
130700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
WBC |
= |
12700.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYMLE |
= |
81.17 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCH |
= |
23.23 |
pg |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCHC |
= |
369700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCV |
= |
62.82 |
fL |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONOLE |
= |
2.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTLE |
= |
16.5 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBCNUC |
= |
0.0 |
/100WBC |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PLAT |
= |
1180330.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALT |
= |
51.17 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALB |
= |
40800.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALP |
= |
393.17 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
AST |
= |
111.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BUN |
= |
181.7 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CO2 |
= |
25000000.0 |
nM |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHLORIDE |
= |
105.17 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHOL |
= |
655.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CK |
= |
911.5 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CREAT |
= |
2.1 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
GLUC |
= |
1830.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LDH |
= |
189.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LIPASE |
= |
8.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PHOS |
= |
127.8 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
POTASSIUM |
= |
6.05 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
SODIUM |
= |
144.57 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BILI |
= |
2.5 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PROT |
= |
58300.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
URATE |
= |
15.8 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASO |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOS |
= |
188.5 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYM |
= |
12360.83 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONO |
= |
64.33 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTSG |
= |
1986.33 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASOLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOSLE |
= |
1.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBC |
= |
5520000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HCT |
= |
35.82 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HGB |
= |
132500.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
WBC |
= |
14600.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYMLE |
= |
84.5 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCH |
= |
24.05 |
pg |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCHC |
= |
369800.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCV |
= |
64.97 |
fL |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONOLE |
= |
0.5 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTLE |
= |
13.67 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBCNUC |
= |
0.0 |
/100WBC |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PLAT |
= |
1297830.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALT |
= |
47.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALB |
= |
40300.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALP |
= |
451.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
AST |
= |
88.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BUN |
= |
150.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CO2 |
= |
28000000.0 |
nM |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHLORIDE |
= |
104.67 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHOL |
= |
640.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CK |
= |
727.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CREAT |
= |
2.1 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
GLUC |
= |
1623.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LDH |
= |
101.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LIPASE |
= |
8.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PHOS |
= |
130.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
POTASSIUM |
= |
6.56 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
SODIUM |
= |
146.33 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BILI |
= |
2.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PROT |
= |
59000.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
URATE |
= |
17.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASO |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOS |
= |
232.67 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYM |
= |
11739.33 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONO |
= |
92.67 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTSG |
= |
1668.67 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASOLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOSLE |
= |
1.67 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBC |
= |
5230000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HCT |
= |
33.7 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HGB |
= |
124700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
WBC |
= |
13730.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYMLE |
= |
85.67 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCH |
= |
23.87 |
pg |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCHC |
= |
369700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCV |
= |
64.5 |
fL |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONOLE |
= |
0.67 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTLE |
= |
12.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBCNUC |
= |
0.0 |
/100WBC |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PLAT |
= |
1318000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALT |
= |
64.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALB |
= |
39000.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALP |
= |
325.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
AST |
= |
95.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BUN |
= |
190.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CO2 |
= |
24670000.0 |
nM |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHLORIDE |
= |
105.33 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHOL |
= |
966.7 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CK |
= |
520.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CREAT |
= |
1.8 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
GLUC |
= |
1683.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LDH |
= |
141.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LIPASE |
= |
8.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PHOS |
= |
147.7 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
POTASSIUM |
= |
6.25 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
SODIUM |
= |
144.77 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BILI |
= |
1.7 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PROT |
= |
57000.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
URATE |
= |
15.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASO |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOS |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYM |
= |
9185.33 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONO |
= |
38.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTSG |
= |
2710.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASOLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOSLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBC |
= |
5600000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HCT |
= |
35.77 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HGB |
= |
133300.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
WBC |
= |
11930.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYMLE |
= |
77.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCH |
= |
23.83 |
pg |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCHC |
= |
372700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCV |
= |
63.8 |
fL |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONOLE |
= |
0.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTLE |
= |
22.67 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBCNUC |
= |
0.0 |
/100WBC |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PLAT |
= |
979000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALT |
= |
36.0 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALB |
= |
31300.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALP |
= |
311.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
AST |
= |
64.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BUN |
= |
123.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CO2 |
= |
28000000.0 |
nM |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHOL |
= |
583.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CK |
= |
201.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CREAT |
= |
1.9 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
GLUC |
= |
1326.7 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LDH |
= |
105.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PHOS |
= |
106.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BILI |
= |
0.667 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PROT |
= |
59700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
URATE |
= |
9.3 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASO |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOS |
= |
107.33 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYM |
= |
7265.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONO |
= |
87.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTSG |
= |
974.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASOLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOSLE |
= |
1.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBC |
= |
4970000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HCT |
= |
30.73 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HGB |
= |
116700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
WBC |
= |
8430.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYMLE |
= |
86.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCH |
= |
23.43 |
pg |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCHC |
= |
379700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCV |
= |
61.77 |
fL |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONOLE |
= |
1.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTLE |
= |
11.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBCNUC |
= |
0.33 |
/100WBC |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PLAT |
= |
1398330.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHLORIDE |
= |
105.5 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LIPASE |
= |
6.5 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
POTASSIUM |
= |
5.8 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
SODIUM |
= |
147.5 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALT |
= |
31.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALB |
= |
26300.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
ALP |
= |
297.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
AST |
= |
73.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BUN |
= |
220.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CO2 |
= |
25330000.0 |
nM |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHLORIDE |
= |
103.0 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CHOL |
= |
520.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CK |
= |
232.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
CREAT |
= |
3.4 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
GLUC |
= |
1470.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LDH |
= |
216.33 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LIPASE |
= |
6.67 |
U.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PHOS |
= |
120.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
POTASSIUM |
= |
6.2 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
SODIUM |
= |
143.07 |
mEq.L-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BILI |
= |
1.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PROT |
= |
57300.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
URATE |
= |
23.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASO |
= |
0.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOS |
= |
219.33 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYM |
= |
14998.67 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONO |
= |
280.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTSG |
= |
5502.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
BASOLE |
= |
0.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
EOSLE |
= |
1.0 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBC |
= |
4920000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HCT |
= |
30.6 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
HGB |
= |
117700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
WBC |
= |
21000.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
LYMLE |
= |
71.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCH |
= |
23.97 |
pg |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCHC |
= |
384700.0 |
ug.mL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MCV |
= |
62.2 |
fL |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
MONOLE |
= |
1.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
NEUTLE |
= |
26.33 |
% |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
RBCNUC |
= |
0.0 |
/100WBC |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
PLAT |
= |
2260330.0 |
cells.uL-1 |
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Schistosoma mansoni |
Tissue Severity Score |
|
|
|
In vitro activity on S. mansoni schistosomula at 50 uM |
CHEMBL3885881 |
| Homo sapiens |
Creatinine_CL |
= |
88.1 |
mL/min |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL/F |
= |
66.9 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
T1/2 |
= |
2.3 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
30.1 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Creatinine_CL |
= |
12.7 |
mL/min |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
1.6 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL/F |
= |
5.8 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
T1/2 |
= |
13.4 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Creatinine_CL |
= |
26.5 |
mL/min |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL/F |
= |
12.8 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
T1/2 |
= |
6.2 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
4.2 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
13.0 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL/F |
= |
27.3 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
T1/2 |
= |
3.4 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Creatinine_CL |
= |
49.3 |
mL/min |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
F |
= |
77.0 |
% |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
AUC |
= |
8950.0 |
ng.hr.mL-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Tmax |
= |
0.9 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Cmax |
= |
13030.09 |
nM |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
AUC |
= |
9300.0 |
ng.hr.mL-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
28.5 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
T1/2 |
= |
2.3 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Excretion |
= |
82.0 |
% |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Vd |
= |
1.08 |
L.kg-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
F |
= |
77.0 |
% |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
T1/2 |
= |
2.0 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
21.8 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
AUC |
= |
11100.0 |
ng.hr.mL-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
AUC |
= |
4480.0 |
ng.hr.mL-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Tmax |
= |
0.9 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Cmax |
= |
6317.62 |
nM |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Cmax |
= |
3158.81 |
nM |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
AUC |
= |
2240.0 |
ng.hr.mL-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Tmax |
= |
0.9 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
AUC |
= |
17900.0 |
ng.hr.mL-1 |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Tmax |
= |
0.9 |
hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Cmax |
= |
26060.18 |
nM |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
Excretion |
= |
91.0 |
% |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL |
= |
36.6 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Homo sapiens |
CL_renal |
= |
27.7 |
L/hr |
Mean pharmacokinetic parameters for Penciclovir following single dose oral or IV administration of Femciclovir to healthy adult subjects and patients with different degrees of renal impairment. |
CHEMBL3832035 |
| Human immunodeficiency virus 1 |
EC50 |
> |
150000.0 |
nM |
Antiviral activity against HIV1 X4LAI.04 infected in human MT4 cells assessed as decrease in viral replication by p24gag-based luminex assay |
CHEMBL4017507 |
| MT4 |
IC50 |
> |
150000.0 |
nM |
Cytotoxicity against human MT4 cells assessed as reduction in cell viability by cell counting method |
CHEMBL4017507 |
| CCRF-CEM |
CC50 |
|
|
|
Cytostatic activity human CEM cells assessed as reduction in cell viability after 72 hrs by cell counting method |
CHEMBL4017507 |
| Human immunodeficiency virus 1 |
EC50 |
= |
11000.0 |
nM |
Antiviral activity against HIV1 X4LAI.04 infected in human tonsillar tissues assessed as inhibition of virus-induced cytopathic effect by p24gag-based luminex assay |
CHEMBL4017507 |
| Human herpesvirus 1 strain KOS |
EC50 |
= |
500.0 |
nM |
Antiviral activity against Herpes simplex virus 1 KOS infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| Human herpesvirus 2 strain G |
EC50 |
= |
600.0 |
nM |
Antiviral activity against Herpes simplex virus 2 G infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| Human herpesvirus 1 strain KOS |
EC50 |
= |
4000.0 |
nM |
Antiviral activity against ACV-resistant thymidine kinase deficient Herpes simplex virus 1 KOS infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| HEL |
MCC |
> |
100000.0 |
nM |
Cytotoxicity against human HEL cells assessed as alteration to cell morphology by microscopic analysis |
CHEMBL4017507 |
| Human herpesvirus 5 |
EC50 |
> |
50000.0 |
nM |
Antiviral activity against human cytomegalovirus AD-169 infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| Human herpesvirus 5 |
EC50 |
> |
50000.0 |
nM |
Antiviral activity against human cytomegalovirus Davis infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| Human herpesvirus 3 strain Oka vaccine |
EC50 |
= |
620.0 |
nM |
Antiviral activity against Varicella-Zoster virus OKA infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| Human herpesvirus 3 |
EC50 |
= |
10200.0 |
nM |
Antiviral activity against thymidine kinase deficient Varicella-Zoster virus 07-1 infected in human HEL cells assessed as inhibition of virus-induced cytopathic effect |
CHEMBL4017507 |
| HEL |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human HEL cells assessed as cell growth inhibition by cell counting method |
CHEMBL4017507 |
| Human herpesvirus 1 strain KOS |
EC50 |
= |
480.0 |
nM |
Antiviral activity against Herpes simplex virus 1 KOS infected in HEL cells assessed as inhibition of virus-induced cytopathic effect measured after 2 to 3 days post-infection |
CHEMBL4251741 |
| Human herpesvirus 1 strain KOS |
EC50 |
> |
79000.0 |
nM |
Antiviral activity against ACV-resistant thymidine kinase deficient Herpes simplex virus 1 KOS infected in HEL cells assessed as inhibition of virus-induced cytopathic effect measured after 2 to 3 days post-infection |
CHEMBL4251741 |
| Human herpesvirus 2 strain G |
EC50 |
= |
840.0 |
nM |
Antiviral activity against Herpes simplex virus 2 G infected in HEL cells assessed as inhibition of virus-induced cytopathic effect measured after 2 to 3 days post-infection |
CHEMBL4251741 |
| Human herpesvirus 3 strain Oka vaccine |
EC50 |
|
|
|
Antiviral activity against thymidine kinase expressing Varicella-Zoster virus Oka assessed as inhibition of plaque formation measured after 5 days post-infection |
CHEMBL4251741 |
| Human herpesvirus 3 |
EC50 |
|
|
|
Antiviral activity against thymidine kinase deficient Varicella-Zoster virus 07-1 assessed as inhibition of plaque formation measured after 5 days post-infection |
CHEMBL4251741 |
| Human herpesvirus 5 strain AD169 |
EC50 |
|
|
|
Antiviral activity against Human cytomegalovirus AD169 infected in HEL cells assessed as inhibition of virus-induced cytopathic effect measured after 6 to 7 days post-infection |
CHEMBL4251741 |
| Human herpesvirus 5 |
EC50 |
|
|
|
Antiviral activity against Human cytomegalovirus Davis infected in HEL cells assessed as inhibition of virus-induced cytopathic effect measured after 6 to 7 days post-infection |
CHEMBL4251741 |
| HEL |
MCC |
> |
79000.0 |
nM |
Cytotoxicity against HEL cells assessed as morphological changes after 3 days by microscopic analysis |
CHEMBL4251741 |
| HEL |
CC50 |
> |
395000.0 |
nM |
Cytotoxicity against HEL cells assessed as reduction in cell viability after 3 days by coulter counting method |
CHEMBL4251741 |
| SARS-CoV-2 |
Inhibition index |
= |
0.1825 |
|
Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs |
CHEMBL4303097 |
| SARS-CoV-2 |
Inhibition |
= |
1.54 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging |
CHEMBL4303101 |
| SARS-CoV-2 |
Hit score |
= |
0.1329 |
|
Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) |
CHEMBL4303122 |
| SARS-CoV-2 |
Hit score |
= |
0.1283 |
|
Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) |
CHEMBL4303122 |
| ADMET |
F |
= |
77.0 |
% |
Oral bioavailability in human |
CHEMBL4321795 |
| Human herpesvirus 1 |
EC50 |
= |
800.0 |
nM |
Antiviral activity against herpes simplex virus 1 KOS infected in HEL cells assessed as reduction in virus-induced cytopathogenicity by microscopic analysis |
CHEMBL4368930 |
| Human herpesvirus 2 |
EC50 |
= |
200.0 |
nM |
Antiviral activity against herpes simplex virus 2 G infected in HEL cells assessed as reduction in virus-induced cytopathogenicity by microscopic analysis |
CHEMBL4368930 |
| Human herpesvirus 1 |
EC50 |
= |
200.0 |
nM |
Antiviral activity against thymidine kinase deficient and aciclovir resistant herpes simplex virus 1 KOS infected in HEL cells assessed as reduction in virus-induced cytopathogenicity by microscopic analysis |
CHEMBL4368930 |
| HEL |
MCC |
> |
100000.0 |
nM |
Cytotoxicity against HEL cells assessed as effect on cell morphology at 0.32 to 200 uM by microscopic analysis |
CHEMBL4368930 |
| Human herpesvirus 3 |
EC50 |
= |
3500.0 |
nM |
Antiviral activity against Varicella-zoster virus Oka harboring thymidine kinase infected in HEL cells assessed as reduction in virus plaque formation |
CHEMBL4368930 |
| Human herpesvirus 3 |
EC50 |
= |
33400.0 |
nM |
Antiviral activity against thymidine kinase deficient Varicella-zoster virus 07-1 infected in HEL cells assessed as reduction in virus plaque formation |
CHEMBL4368930 |
| Human herpesvirus 5 |
EC50 |
> |
100000.0 |
nM |
Antiviral activity against Human cytomegalovirus AD169 assessed as reduction in virus-induced cytopathogenicity by microscopic analysis |
CHEMBL4368930 |
| Human herpesvirus 5 |
EC50 |
> |
100000.0 |
nM |
Antiviral activity against Human cytomegalovirus Davis assessed as reduction in virus-induced cytopathogenicity by microscopic analysis |
CHEMBL4368930 |
| TERT-RPE1 |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human hTERT-RPE1 cells |
CHEMBL4368930 |
| CAPAN-1 |
IC50 |
= |
93000.0 |
nM |
Cytostatic activity against human Capan1 cells |
CHEMBL4368930 |
| Unchecked |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human HAP1 cells |
CHEMBL4368930 |
| NCI-H460 |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human NCI-H460 cells |
CHEMBL4368930 |
| Unchecked |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human DND41 cells |
CHEMBL4368930 |
| HL-60 |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human HL60 cells |
CHEMBL4368930 |
| K562 |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human K562 cells |
CHEMBL4368930 |
| Z-138 |
IC50 |
> |
100000.0 |
nM |
Cytostatic activity against human Z138 cells |
CHEMBL4368930 |
| Replicase polyprotein 1ab |
Inhibition |
= |
11.85 |
% |
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate |
CHEMBL4495564 |
| SARS-CoV-2 |
Inhibition |
= |
-0.12 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| Candida albicans |
Inhibition |
= |
0.56 |
% |
Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB media using NBS plates, by OD630 |
CHEMBL4513141 |
| Filobasidiella neoformans |
Inhibition |
= |
-9.17 |
% |
Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); MIC in YNB media using NBS plates, by Resazurin OD(600-570) |
CHEMBL4513141 |
| Escherichia coli |
Inhibition |
= |
2.89 |
% |
Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CAMBH media using NBS plates, by OD(600) |
CHEMBL4513141 |
| Klebsiella pneumoniae |
Inhibition |
= |
17.55 |
% |
Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); MIC in CAMBH media using NBS plates, by OD(600) |
CHEMBL4513141 |
| Pseudomonas aeruginosa |
Inhibition |
= |
16.28 |
% |
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600) |
CHEMBL4513141 |
| Acinetobacter baumannii |
Inhibition |
= |
30.92 |
% |
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600 |
CHEMBL4513141 |
| Staphylococcus aureus subsp. aureus |
Inhibition |
= |
6.12 |
% |
Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020); MIC in CAMBH media, using NBS plates, by OD(600) |
CHEMBL4513141 |
| SARS-CoV-2 |
Inhibition |
= |
-0.12 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| SARS-CoV-2 |
IC50 |
> |
20000.0 |
nM |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4651402 |
| SARS-CoV-2 |
IC50 |
< |
19952.62 |
nM |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4651402 |
| SARS-CoV-2 |
EC50 |
= |
95960.0 |
nM |
Antiviral activity against nCoV-2019 BetaCoV/Wuhan/WIV04/2019 infected in African green monkey VeroE6 cells assessed as reduction in viral yield preincubated for 1 hr followed by viral infection and further replacement of fresh medium containing compound and measured at 48 hrs post infection by qRT-PCR method |
CHEMBL4680271 |
| Vero C1008 |
CC50 |
> |
400000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells by CCK8 assay |
CHEMBL4680271 |
| SARS-CoV-2 |
IC50 |
= |
95900.0 |
nM |
Antiviral activity against 2019-nCoV BetaCoV/Wuhan/WIV04/2019 infected in African green monkey VeroE6 cells assessed as reduction in viral yield preincubated with virus for 1 hr followed by cell infection and measured after 2 hrs by qRT-PCR method |
CHEMBL4715853 |
| Vero C1008 |
CC50 |
> |
400000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells by the CCK8 assay |
CHEMBL4715853 |
| Unchecked |
Ratio CC50/EC50 |
> |
4.2 |
|
Selectivity index, ratio of CC50 for African green monkey Vero E6 cells to EC50 for 2019-nCoV Beta CoV/Wuhan/WIV04/2019 infected in African green monkey Vero E6 cells |
CHEMBL4715853 |
| ADMET |
F |
= |
60.0 |
% |
Oral bioavailability in human at 400 mg administered as 1 hr intravenous infusion |
CHEMBL5108063 |
