| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
IC50 |
= |
1900.0 |
nM |
Inhibition HCV NS5B-mediated RNA synthesis |
CHEMBL1149159 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
300.0 |
nM |
Inhibition HCV RNA replication |
CHEMBL1149159 |
| Adenosine A1 receptor |
Ki |
= |
740.0 |
nM |
Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes. |
CHEMBL1131221 |
| Adenosine A2a receptor |
Ki |
= |
3420.0 |
nM |
Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes. |
CHEMBL1131221 |
| Adenosine A3 receptor |
Inhibition |
= |
0.0 |
% |
Inhibitory activity against Adenosine A3 receptor by inhibition of [3H](R)-PIA binding to rat testis membranes |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
4.6 |
|
Inhibitory selectivity at Adenosine 2A receptor compared to Adenosine 1 receptor. |
CHEMBL1131221 |
| Unchecked |
Selectivity |
> |
13.5 |
|
Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 1 receptor. |
CHEMBL1131221 |
| Unchecked |
Selectivity |
> |
2.9 |
|
Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 2A receptor. |
CHEMBL1131221 |
| Adenosine A1 receptor |
Ki |
= |
740.0 |
nM |
Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor |
CHEMBL1135881 |
| Adenosine A2a receptor |
Ki |
= |
3400.0 |
nM |
Affinity to Adenosine A2A receptor of rat brain striatum using [3H]-CGS- 21680 |
CHEMBL1135881 |
| Adenosine A3 receptor |
Displacement |
= |
0.0 |
% |
Displacement of [3H](R)-PIA from Adenosine A3 receptor of rat testis membrane with 150 nM DPCPX at 10e-5 M |
CHEMBL1135881 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
4.6 |
|
Selectivity for Adenosine A2A over Adenosine A1 receptor |
CHEMBL1135881 |
| Adenosine receptors; A1 & A3 |
Selectivity |
> |
13.5 |
|
Selectivity for Adenosine A3 over Adenosine A1 receptor |
CHEMBL1135881 |
| Adenosine receptor A2a and A3 |
Selectivity |
> |
2.9 |
|
Selectivity towards Adenosine A3 receptor to Adenosine A2A receptor |
CHEMBL1135881 |
| Hepatitis C virus |
EC50 |
= |
300.0 |
nM |
Inhibition of hepatitis C virus RNA replication in a subgenomic replicon cell line |
CHEMBL1144291 |
| Hepatitis C virus |
CC50 |
= |
300000.0 |
nM |
Cytotoxicity concentration to inhibit hepatitis C virus RNA replication in a subgenomic replicon cell line |
CHEMBL1144291 |
| Nucleic Acid |
EC50 |
= |
260.0 |
nM |
Inhibition of HCV RNA replication in a subgenomic bicistronic replicon assay in HB-1 cells |
CHEMBL1137984 |
| NON-PROTEIN TARGET |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against HB-1 cells in an MTS-based assay |
CHEMBL1137984 |
| Hepatitis C virus |
IC50 |
= |
1900.0 |
nM |
Compound was tested for the inhibition of HCV NS5B-mediated RNA synthesis |
CHEMBL1137984 |
| ADMET |
F |
= |
0.0 |
% |
Oral bioavailability in rat |
CHEMBL1137984 |
| ADMET |
CL |
> |
200.0 |
mL.min-1.kg-1 |
Clearance in rats when administered at a dose of 1 mg/kg i.v. and 2 mg/mL p.o. |
CHEMBL1137984 |
| ADMET |
T1/2 |
= |
0.3 |
hr |
Half-life in rats |
CHEMBL1137984 |
| ADMET |
Cmax |
|
|
nM |
Cmax value in rats |
CHEMBL1137984 |
| ADMET |
Tmax |
|
|
hr |
Tmax value in rats |
CHEMBL1137984 |
| K562 |
IC50 |
= |
16000.0 |
nM |
In vitro inhibitory activity against human myelogenous leukemia K562 cell line |
CHEMBL1140342 |
| K562 |
IC50 |
> |
100000.0 |
nM |
In vitro inhibitory activity against human leukemia K562IU cell line |
CHEMBL1140342 |
| HT-29 |
IC50 |
> |
100000.0 |
nM |
In vitro inhibitory activity against human colon carcinoma HT-29 cell line |
CHEMBL1140342 |
| MCF7 |
IC50 |
> |
100000.0 |
nM |
In vitro inhibitory activity against human breast carcinoma MCF-7 cell line |
CHEMBL1140342 |
| Adenosine A1 receptor |
Ki |
= |
1120.0 |
nM |
Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
CHEMBL1144357 |
| Adenosine A2a receptor |
Ki |
= |
5800.0 |
nM |
Displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes |
CHEMBL1144357 |
| Adenosine A3 receptor |
Displacement |
= |
0.0 |
% |
Percent displacement of [125I]AB-MECA binding to adenosine A3 receptors of bovine cortical membranes at 0.00005 M |
CHEMBL1144357 |
| Adenosine receptors; A1 & A2a |
Ratio |
= |
5.2 |
|
Relative affinities against adenosine A2A and A1 receptors (ratio of KiA2A/KiA1) |
CHEMBL1144357 |
| Adenosine receptors; A1 & A3 |
Ratio |
> |
8.9 |
|
Relative affinities for adenosine A3 and A1 receptors (ratio of KiA3/KiA1) |
CHEMBL1144357 |
| Adenosine receptors; A2a & A3 |
Ratio |
> |
0.58 |
|
Relative affinities for adenosine A2A and A3 receptors (ratio of KiA2A/KiA3) |
CHEMBL1144357 |
| Hepatitis C virus |
EC90 |
= |
1.14 |
uM |
Effective concentration required to reduce Hepatitis C virus |
CHEMBL1141079 |
| Hepatitis C virus |
CC50 |
= |
15000.0 |
nM |
Cytotoxic concentration required to reduce the rRNA level of hepatitis C virus |
CHEMBL1141079 |
| Hepatitis C virus |
EC50 |
= |
1400.0 |
nM |
Antiviral activity against HCV replication |
CHEMBL1139016 |
| Huh-7 |
CC50 |
= |
15000.0 |
nM |
Cytotoxicity against Huh7 cells by MTS assay |
CHEMBL1139016 |
| MDBK441 |
CC50 |
> |
14.0 |
ug.mL-1 |
Cytotoxicity against MDBK cells |
CHEMBL1146075 |
| Bovine viral diarrhea virus |
EC50 |
= |
0.22 |
ug.mL-1 |
Antiviral activity against BVDV NADL in MDBK cells |
CHEMBL1146075 |
| MDBK441 |
Selectivity index |
> |
63.0 |
|
Selectivity index (CC50/EC50) for inhibition of BVDV NADL in MDBK cells |
CHEMBL1146075 |
| Bovine viral diarrhea virus |
EC50 |
= |
0.37 |
ug.mL-1 |
Antiviral activity against VP32947-resistant BVDV in MDBK cells |
CHEMBL1146075 |
| MDBK441 |
Selectivity index |
> |
38.0 |
|
Selectivity index (CC50/EC50) for inhibition of VP32947-resistant BVDV in MDBK cells |
CHEMBL1146075 |
| Hepatocyte |
Activity |
= |
209.0 |
nmol/g |
Activation of prodrug to corresponding nucleoside triphosphate in Sprague-Dawley rat hepatocytes at 25 uM after 2 hrs |
CHEMBL1148715 |
| Hepatitis C virus |
EC50 |
= |
250.0 |
nM |
Antiviral activity against HCV genotype 1b in Huh7 cells assessed as inhibition of viral RNA replication after 24 hrs by ribonuclease protection assay |
CHEMBL1149594 |
| Hepatitis C virus |
EC50 |
= |
200.0 |
nM |
Antiviral activity against HCV genotype 1b in Huh7 cells assessed as inhibition of viral RNA replication after 72 hrs by ribonuclease protection assay |
CHEMBL1149594 |
| ADMET |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against Huh7 cells after 24 hrs by MTS assay |
CHEMBL1149594 |
| ADMET |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human Huh7 cells harboring con1 replicon after 3 days by MTT assay |
CHEMBL1141579 |
| Hepatitis C virus |
EC50 |
= |
230.0 |
nM |
Antiviral activity against HCV 1b Con1 replicon in Huh7 cells |
CHEMBL1141579 |
| Hepatitis C virus |
EC50 |
= |
230.0 |
nM |
Antiviral activity against Hepatitis C virus 1b after 3 days |
CHEMBL1144035 |
| NON-PROTEIN TARGET |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human Huh7 cells after 3 days by MTT method |
CHEMBL1144035 |
| HeLa |
Activity |
|
|
|
Cytostatic activity in human HeLa S3 cells assessed as inhibition of cell growth after 48 hrs by XTT assay |
CHEMBL1144035 |
| ADMET |
IC50 |
> |
10000.0 |
nM |
Cytotoxicity against ET cells |
CHEMBL1139357 |
| Unchecked |
Ratio |
= |
66.7 |
|
Selectivity index, EC50 for HCV to IC50 for ET cells |
CHEMBL1139357 |
| Hepatitis C virus |
EC50 |
= |
150.0 |
nM |
Antiviral activity against HCV in ET cells assessed as activity of luciferase reporter by subgenomic RNA replicon assay |
CHEMBL1139357 |
| Caco-2 |
GI50 |
> |
100000.0 |
nM |
Antitumor activity against human CaCo2 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| HT-29 |
GI50 |
> |
100000.0 |
nM |
Antitumor activity against human HT29 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| MCF7 |
GI50 |
> |
100000.0 |
nM |
Antitumor activity against human MCF7 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| K562 |
GI50 |
= |
16000.0 |
nM |
Antitumor activity against human K562 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Hepatitis C virus |
EC50 |
= |
300.0 |
nM |
Antiviral activity against HCV by viral replicon assay |
CHEMBL1153636 |
| Hepatitis C virus |
EC50 |
= |
250.0 |
nM |
Antiviral activity against HCV assessed as inhibition of viral replicon replication in human Huh5-2 cells |
CHEMBL1153636 |
| ADMET |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against human Huh5-2 cells |
CHEMBL1153636 |
| Huh-7 |
CC50 |
|
|
|
Cytotoxicity against human Huh7 cells after 3 days by WST-1 assay |
CHEMBL1177641 |
| Hepatitis C virus |
EC50 |
> |
100000.0 |
nM |
Antiviral activity against HCV genotype1 infected in human Huh7 cells assessed as reduction of viral replication by steady-Glo luciferase assay |
CHEMBL1177641 |
| Dengue virus 2 |
EC50 |
= |
1120.0 |
nM |
Antiviral activity against at 0.3 MOI Dengue virus 2 infected in human A549 cells assessed as level of E protein after 48 hrs by ELISA |
CHEMBL1629694 |
| A549 |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against human A549 cells assessed as intracellular ATP level by Celltiter-Glo luminescent assay |
CHEMBL1629694 |
| Hepatitis C virus |
EC50 |
= |
733.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1a in luciferase encoding genotype 1a replicons after 3 days by luciferase reporter assay |
CHEMBL1629703 |
| Hepatitis C virus |
EC50 |
= |
618.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b in luciferase encoding genotype 1b replicons after 3 days by luciferase reporter assay |
CHEMBL1629703 |
| Hepatitis C virus |
EC50 |
= |
1700.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-Mono cells assessed as reduction in replicon RNA after 4 days by RT-qPCR analysis |
CHEMBL1671625 |
| Hepatitis C virus |
EC50 |
= |
290.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH6 cells assessed as reduction in replicon RNA after 4days by RT-qPCR analysis |
CHEMBL1671625 |
| Hepatitis C virus |
EC50 |
= |
400.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-9-13 cells assessed as reduction in replicon RNA after 4days by RT-qPCR analysis |
CHEMBL1671625 |
| Hepatitis C virus |
EC50 |
= |
120.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh5-2 cells assessed as reduction in replicon RNA after 4 days by luciferase assay |
CHEMBL1671625 |
| ADMET |
CC50 |
> |
33000.0 |
nM |
Cytotoxicity against human Huh-Mono cells after 3 days by MTT assay |
CHEMBL1671625 |
| ADMET |
CC50 |
> |
33000.0 |
nM |
Cytotoxicity against human HuH6 cells after 3 days by MTT assay |
CHEMBL1671625 |
| ADMET |
CC50 |
= |
21000.0 |
nM |
Cytotoxicity against human Huh-9-13 cells after 3 days by MTT assay |
CHEMBL1671625 |
| ADMET |
CC50 |
> |
33000.0 |
nM |
Cytotoxicity against human Huh5-2 cells after 3 days by MTT assay |
CHEMBL1671625 |
| Hepatitis C virus |
EC50 |
= |
200.0 |
nM |
Antiviral activity against HCV genotype 1b infected in human HuH7 cells after 3 days by renilla luciferase reporter assay |
CHEMBL1926658 |
| Huh-7 |
CC50 |
= |
55000.0 |
nM |
Cytotoxicity against human HuH7 cells infected with HCV1b after 3 days by MTS assay |
CHEMBL1926658 |
| ADMET |
Ratio CC50/EC50 |
= |
270.0 |
|
Therapeutic index, ratio of CC50 for human HuH7 cells infected with HCV1b to EC50 for HCV genotype 1b |
CHEMBL1926658 |
| Hepatitis C virus |
Activity |
|
|
|
Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as reduction in luciferase activity at 10 uM after 3 days |
CHEMBL1926658 |
| Huh-7 |
Activity |
|
|
|
Cytotoxicity against human HuH7 cells infected with HCV1b assessed as cell viability at 10 uM after 3 days by MTS assay |
CHEMBL1926658 |
| Rattus norvegicus |
F |
= |
0.0 |
% |
Oral bioavailability in rat |
CHEMBL2021855 |
| Hepatitis C virus |
EC50 |
= |
350.0 |
nM |
Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as cytoprotection after 24 hrs |
CHEMBL2029282 |
| Huh-7 |
CC50 |
= |
66000.0 |
nM |
Cytotoxicity against human HuH7 cells after 24 hrs by MTS assay |
CHEMBL2029282 |
| Hepatitis C virus |
IC50 |
= |
6830.0 |
nM |
Inhibition of HCV genotype 1b NS5B after 90 mins |
CHEMBL2029282 |
| ADMET |
Stability |
= |
94.0 |
% |
Stability of the compound assessed as compound remaining at 10 uM after 60 mins in presence of bovine adenosine deaminase |
CHEMBL2029282 |
| Rattus norvegicus |
CL |
> |
200.0 |
mL.min-1.kg-1 |
Plasma clearance in rat |
CHEMBL2029282 |
| Rattus norvegicus |
F |
= |
0.0 |
% |
Oral bioavailability in rat |
CHEMBL2029282 |
| Hepatitis C virus |
Inhibition |
= |
98.0 |
% |
Antiviral activity at Hepatitis C virus genotype 1b infected in human HuH7 cells assessed as inhibition of viral replication at 0.5 uM after 3 days by renilla luciferase reporter gene assay |
CHEMBL2057076 |
| Huh-7 |
Activity |
= |
87.0 |
% |
Cytotoxicity against human HuH7 cells assessed as cell viability at 0.5 uM after 3 days by CellTiter Glo assay |
CHEMBL2057076 |
| Hepatitis C virus |
Inhibition |
= |
95.0 |
% |
Antiviral activity at Hepatitis C virus genotype 1b infected in human HuH7 cells assessed as inhibition of viral replication at 0.5 uM after 3 days by quantitative RT-PCR analysis |
CHEMBL2057076 |
| Dengue virus 2 |
EC50 |
= |
4000.0 |
nM |
Antiviral activity against Dengue virus 2 New Guinea assessed as inhibition of virus induced cytopathic effect by neutral red dye uptake assay |
CHEMBL4130454 |
| West Nile virus |
EC50 |
= |
5100.0 |
nM |
Antiviral activity against West Nile virus |
CHEMBL4480403 |
