| Hepatitis C virus |
EC90 |
> |
50.0 |
uM |
Antiviral activity against HCV infected in human clone A cells |
CHEMBL1255219 |
| Hepatitis C virus |
Inhibition |
= |
0.09 |
% |
Antiviral activity against HCV infected in human clone A cells assessed as inhibition of cellular rRNA replication at 50 uM |
CHEMBL1255219 |
| Hepatitis C virus |
EC90 |
= |
0.42 |
uM |
Antiviral activity against HCV infected in human clone A cells |
CHEMBL1255219 |
| Hepatitis C virus |
EC90 |
= |
7.8 |
uM |
Antiviral activity against HCV expressing NS5B polymerase S282T mutation infected in clone A cells |
CHEMBL1255219 |
| Hepatitis C virus |
Selectivity ratio |
= |
18.6 |
|
Selectivity, ratio of EC90 for HCV expressing NS5B polymerase S282T mutation to EC90 for HCV expressing wild type NS5B polymerase |
CHEMBL1255219 |
| Hepatitis C virus |
EC90 |
= |
0.23 |
uM |
Antiviral activity against HCV infected in human ET-lunet cells |
CHEMBL1255219 |
| Hepatitis C virus |
EC90 |
= |
0.11 |
uM |
Antiviral activity against HCV expressing NS5B polymerase S282T mutation infected in human ET-lunet cells |
CHEMBL1255219 |
| Hepatitis C virus |
Selectivity ratio |
= |
0.5 |
|
Selectivity, ratio of EC90 for HCV expressing NS5B polymerase S282T mutation to EC90 for HCV expressing wild type NS5B polymerase in ET-Lunet cells |
CHEMBL1255219 |
| CCRF-CEM |
Activity |
|
|
|
Cytotoxicity against human CEM cells assessed as inhibition of mitochondrial DNA up to 100 uM |
CHEMBL1255219 |
| CCRF-CEM |
Activity |
|
|
|
Cytotoxicity against human CEM cells assessed as inhibition of ribosomal DNA up to 100 uM |
CHEMBL1255219 |
| HepG2 |
CC90 |
= |
72.1 |
uM |
Cytotoxicity against human HepG2 cells assessed as inhibition of mitochondrial DNA |
CHEMBL1255219 |
| HepG2 |
CC90 |
= |
68.6 |
uM |
Cytotoxicity against human HepG2 cells assessed as inhibition of ribosomal DNA |
CHEMBL1255219 |
| Hepatitis C virus |
Ratio |
= |
18.6 |
|
Ratio of EC90 for Hepatitis C virus harboring NS5B polymerase S282T mutant gene to EC90 for Hepatitis C virus harboring wild type NS5B polymerase |
CHEMBL3120160 |
| Hepatitis C virus |
EC90 |
= |
7.8 |
uM |
Antiviral activity against Hepatitis C virus harboring NS5B polymerase S282T mutant gene |
CHEMBL3120160 |
| Hepatitis C virus |
EC50 |
= |
254.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b in human Huh7-luc clone ET replicon cells assessed as inhibition of replicon replication after 3 days by luciferase assay |
CHEMBL3120160 |
| Hepatitis C virus |
EC50 |
= |
140.0 |
nM |
Antiviral activity against Hepatitis C virus infected in African green monkey OR6 cells after 72 hrs by luciferase reporter gene assay |
CHEMBL3352698 |
| ADMET |
CC50 |
> |
5000.0 |
nM |
Cytotoxicity against human ORL8 cells after 72 hrs by WST-1 assay |
CHEMBL3352698 |
| Unchecked |
Ratio CC50/EC50 |
> |
36.0 |
|
Selectivity index, ratio of CC50 for human ORL8 cells to EC50 for Hepatitis C virus infected in African green monkey OR6 cells |
CHEMBL3352698 |
| Hepatitis C virus |
Activity |
= |
-2.14 |
|
Antiviral activity against HCV genotype 1a infected in homozygous cDNA-uPA chimeric SCID mouse bearing humanized hepatocytes assessed as change in HCV RNA level in serum at 100 mg/kg, po qd administered through gavage for 7 days by RT-PCR method |
CHEMBL3826882 |
| Hepatitis C virus |
Activity |
= |
-0.97 |
|
Antiviral activity against HCV genotype 3a infected in homozygous cDNA-uPA chimeric SCID mouse bearing humanized hepatocytes assessed as change in HCV RNA level in serum at 100 mg/kg, po qd administered through gavage for 7 days by RT-PCR method |
CHEMBL3826882 |
| Hepatitis C virus |
Activity |
|
|
|
Antiviral activity against HCV genotype 3a infected in homozygous cDNA-uPA chimeric SCID mouse bearing humanized hepatocytes assessed as reduction in HCV RNA level in serum administered through oral gavage once daily for 7 days by RT-PCR method |
CHEMBL3826882 |
| Hepatitis C virus |
Activity |
|
|
|
Antiviral activity against HCV genotype 3a infected in homozygous cDNA-uPA chimeric SCID mouse bearing humanized hepatocytes assessed as reduction in HCV RNA level in serum administered through oral gavage twice daily daily for 7 days by RT-PCR method |
CHEMBL3826882 |
| NON-PROTEIN TARGET |
EC50 |
= |
120.0 |
nM |
Antiviral activity against HCV JFH-1 infected in human HuH7.5.1 cells after 48 hrs by luciferase reporter gene assay |
CHEMBL3867487 |
| NON-PROTEIN TARGET |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human Huh7.5.1 cells after 48 hrs by luciferase reporter gene assay |
CHEMBL3867487 |
| NON-PROTEIN TARGET |
EC90 |
= |
0.42 |
uM |
Antiviral activity against HCV infected in human Huh7 cells assessed as reduction in viral RNA replication after 4 days |
CHEMBL3867487 |
| Huh-7 |
Activity |
|
|
|
Cytotoxicity against human HuH7 cells assessed as reduction in cell viability up to 100 uM after 72 hrs by Cell Titer-Fluor Cell assay |
CHEMBL4011639 |
| Unchecked |
EC50 |
= |
150.0 |
nM |
Inhibition of wild type NS5B in HCV genotype 1b replicon expressed in human HuH7 cells after 72 hrs by bright Glo-luciferase reporter gene assay |
CHEMBL4011639 |
| Liver |
T1/2 |
= |
0.8017 |
hr |
Half life in human liver S9 fraction at 10 uM by LC/MS/MS analysis |
CHEMBL4011639 |
| Plasma |
T1/2 |
> |
3.85 |
hr |
Half life in human plasma at 200 uM by LC/MS/MS analysis |
CHEMBL4011639 |
| Unchecked |
Ratio EC50 |
= |
8.1 |
|
Ratio of EC50 for HCV genotype 1b replicon NS5B S282T mutant to EC50 for wild type HCV genotype 1b replicon NS5B |
CHEMBL4011639 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
589.0 |
nM |
Inhibition of NS5B S282T mutant in HCV genotype 1b replicon expressed in human HuH7 cells after 72 hrs by bright Glo-luciferase reporter gene assay |
CHEMBL4011639 |
| HepG2 |
Inhibition |
< |
1.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA levels at 25 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
Inhibition |
= |
38.3 |
% |
Cytotoxicity against human HepG2 cells assessed as inhibition of nuclear DNA levels at 25 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
Activity |
= |
187.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as cytochrome c oxidase subunit 2 DNA levels at 25 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| Unchecked |
EC50 |
= |
90.0 |
nM |
Antiviral activity against HCV genotype 1b harboring wild type NS5B infected in human HuH7 cells assessed as inhibition of viral RNA replication after 5 days by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
EC90 |
= |
0.3 |
uM |
Antiviral activity against HCV genotype 1b harboring wild type NS5B infected in human HuH7 cells assessed as inhibition of viral RNA replication after 5 days by RT-PCR method |
CHEMBL4014354 |
| Huh-7 |
CC50 |
> |
10000.0 |
nM |
Cytotoxicity against human HuH7 cells assessed as inhibition of cell proliferation after 4 days by MTS assay |
CHEMBL4014354 |
| PBMC |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human PBMC assessed as inhibition of cell proliferation after 5 days by MTT assay |
CHEMBL4014354 |
| CCRF-CEM |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human CEM cells assessed as inhibition of cell proliferation after 4 days by MTT assay |
CHEMBL4014354 |
| Vero |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as inhibition of cell proliferation after 3 days by MTT assay |
CHEMBL4014354 |
| Unchecked |
IC50 |
= |
60.0 |
nM |
Antiviral activity against HCV genotype 1a infected in human HuH7 cells assessed as inhibition of viral RNA replication after 96 hrs by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
IC50 |
= |
60.0 |
nM |
Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as inhibition of viral RNA replication after 96 hrs by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
IC50 |
= |
20.0 |
nM |
Antiviral activity against HCV genotype 2a/k infected in human HuH7 cells assessed as inhibition of viral RNA replication after 96 hrs by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
IC50 |
= |
40.0 |
nM |
Antiviral activity against HCV genotype 2b infected in human HuH7 cells assessed as inhibition of viral RNA replication after 96 hrs by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
IC50 |
= |
90.0 |
nM |
Antiviral activity against HCV genotype 3a infected in human HuH7 cells assessed as inhibition of viral RNA replication after 96 hrs by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
IC50 |
= |
70.0 |
nM |
Antiviral activity against HCV genotype 4 infected in human HuH7 cells assessed as inhibition of viral RNA replication after 96 hrs by RT-PCR method |
CHEMBL4014354 |
| Unchecked |
EC50 |
= |
400.0 |
nM |
Antiviral activity against HCV genotype 1b harboring NS5B S282T mutant infected in human HuH7 cells assessed as inhibition of viral RNA replication after 4 days by luciferase reporter gene assay |
CHEMBL4014354 |
| Unchecked |
EC90 |
= |
1.0 |
uM |
Antiviral activity against HCV genotype 1b harboring NS5B S282T mutant infected in human HuH7 cells assessed as inhibition of viral RNA replication after 4 days by luciferase reporter gene assay |
CHEMBL4014354 |
| Unchecked |
Ratio EC50 |
= |
4.4 |
|
Selectivity ratio of EC50 for HCV genotype 1b harboring NS5B S282T mutant to EC50 for HCV genotype 1b harboring wild type NS5B |
CHEMBL4014354 |
| Unchecked |
Selectivity ratio |
= |
3.0 |
|
Selectivity ratio of EC90 for HCV genotype 1b harboring NS5B S282T mutant to EC90 for HCV genotype 1b harboring wild type NS5B |
CHEMBL4014354 |
| HepG2 |
Inhibition |
< |
1.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA levels at 10 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
Inhibition |
= |
7.3 |
% |
Cytotoxicity against human HepG2 cells assessed as inhibition of nuclear DNA levels at 10 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
Inhibition |
< |
1.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA levels at 50 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
Inhibition |
= |
38.8 |
% |
Cytotoxicity against human HepG2 cells assessed as inhibition of nuclear DNA levels at 50 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
IC50 |
> |
50000.0 |
nM |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA levels measured on day 14 by RT-PCR method |
CHEMBL4014354 |
| HepG2 |
IC50 |
> |
50000.0 |
nM |
Cytotoxicity against human HepG2 cells assessed as inhibition of nuclear DNA levels measured on day 14 by RT-PCR method |
CHEMBL4014354 |
| HepG2 |
Activity |
= |
176.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as cytochrome c oxidase subunit 2 DNA levels at 10 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| HepG2 |
Activity |
= |
255.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as cytochrome c oxidase subunit 2 DNA levels at 50 uM measured on day 14 by RT-PCR method relative to nuclear beta-actin DNA levels |
CHEMBL4014354 |
| Cytochrome P450 3A4 |
IC50 |
= |
8400.0 |
nM |
Inhibition of human CYP3A4 using ketoconazole as substrate |
CHEMBL4014354 |
| Cytochrome P450 2C9 |
IC50 |
= |
60000.0 |
nM |
Inhibition of human CYP2C9 using sulfaphenazole as substrate |
CHEMBL4014354 |
| Cytochrome P450 1A2 |
IC50 |
> |
100000.0 |
nM |
Inhibition of human CYP1A2 using alpha-naphthoflavone as substrate |
CHEMBL4014354 |
| Cytochrome P450 2D6 |
IC50 |
> |
100000.0 |
nM |
Inhibition of human CYP2D6 using quinidine as substrate |
CHEMBL4014354 |
| Canis familiaris |
F |
= |
9.9 |
% |
Oral bioavailability in portal vein cannulated dog |
CHEMBL4020813 |
| Canis familiaris |
Fabs |
= |
36.0 |
% |
Fraction absorbed in po dosed portal vein cannulated dog |
CHEMBL4020813 |
| Homo sapiens |
Fabs |
> |
80.0 |
% |
Fraction absorbed in human |
CHEMBL4020813 |
| Homo sapiens |
Tmax |
= |
0.5 |
hr |
Tmax in po dosed human |
CHEMBL4020813 |
| Plasma |
PPB |
= |
82.0 |
% |
Protein binding in human plasma |
CHEMBL4020813 |
| Plasma |
PPB |
= |
85.0 |
% |
Protein binding in plasma of patient with end stage renal disease |
CHEMBL4020813 |
| ADMET |
Drug recovery |
= |
3.5 |
% |
Drug recovery in human urine at 100 to 800 mg |
CHEMBL4020813 |
| ADMET |
Drug metabolism |
= |
77.7 |
% |
Prodrug activation in human urine assessed as 2'-deoxy-2'-fluoro-2'-C-methyluridine formation at 100 to 800 mg |
CHEMBL4020813 |
| Homo sapiens |
CL |
= |
0.238 |
L/min |
Renal clearance in human at 100 to 800 mg |
CHEMBL4020813 |
| Liver |
AUC/dose |
= |
310.0 |
pmol.hr/g |
Dose normalized AUC (0 to 24 hrs) in mouse liver assessed as 2'-C-MeUTP level at 10 mg/kg, po administered as single dose |
CHEMBL4043192 |
| Unchecked |
EC50 |
= |
284.0 |
nM |
Antiviral activity against HCV genotype 1b Con1 expressing NS3 protease infected in human Huh-7 cells assessed as reduction in viral RNA replication after 72 hrs by luciferase reporter gene assay |
CHEMBL4043192 |
| Unchecked |
Ratio CC50/EC50 |
> |
352.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to EC50 for HCV genotype 1b Con1 expressing NS3 protease |
CHEMBL4043192 |
| Plasma |
AUC/dose |
= |
330.0 |
pmol.hr/ml |
Dose normalized AUC (0 to 24 hrs) in mouse plasma assessed as 2'-C-MeU level at 10 mg/kg, po administered as single dose |
CHEMBL4043192 |
| Unchecked |
EC50 |
= |
552.0 |
nM |
Antiviral activity against HCV genotype 1b Con1 infected in human Huh-7 cells over-expressing CES1 |
CHEMBL4043192 |
| Acyl coenzyme A:cholesterol acyltransferase |
Drug metabolism |
= |
12.0 |
% |
Drug metabolism assessed as CES1 (unknown origin)-mediated monophosphate formation after 3 hrs relative to control |
CHEMBL4043192 |
| Acyl coenzyme A:cholesterol acyltransferase |
Drug metabolism |
= |
15.0 |
% |
Drug metabolism assessed as CES1 (unknown origin)-mediated monophosphate formation after 21 hrs relative to control |
CHEMBL4043192 |
| Lysosomal protective protein |
Drug metabolism |
= |
100.0 |
% |
Drug metabolism assessed as CatA (unknown origin)-mediated monophosphate formation after 18 hrs relative to control |
CHEMBL4043192 |
| ADMET |
AUCt |
= |
35748.0 |
pmol.hr |
AUC (0 to t) in human Huh-7 cells assessed as ((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate level per 10'6 cells at 10 uM after 24 to 72 hrs |
CHEMBL4043192 |
| ADMET |
AUCt |
= |
288572.0 |
pmol.hr |
AUC (0 to t) in human hepatocytes assessed as ((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate level per 10'6 cells at 10 uM after 48 to 96 hrs |
CHEMBL4043192 |
| Unchecked |
AUCt |
= |
387000.0 |
pmol.hr |
AUC (0 to t) in human cardiomyocytes assessed as ((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate level per 10'6 cells at 10 uM after 24 to 168 hrs |
CHEMBL4043192 |
| HepG2 |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against human HepG2 cells after 96 hrs by CCK-8 assay |
CHEMBL4118212 |
| Dengue virus 2 |
EC50 |
= |
1200.0 |
nM |
Antiviral activity against Dengue virus 2 infected in human PBMC after 2 days post infection by plaque assay |
CHEMBL4118212 |
| Classical swine fever virus |
IC50 |
|
|
|
Antiviral activity against CSFV infected in SK6 cells assessed as reduction of pseudo-plaque formation after 2 days by immunoperoxidase monolayer assay |
CHEMBL4138118 |
| Unchecked |
CC50 |
|
|
|
Cytotoxicity against SK6 cells assessed as reduction in cell viability after 2 days by MTS method |
CHEMBL4138118 |
| Unchecked |
Ratio CC50/IC50 |
|
|
|
Selectivity index, ratio of CC50 for SK6 cells to IC50 for CSFV |
CHEMBL4138118 |
| Hepatitis C virus |
IC50 |
= |
260.0 |
nM |
Antiviral activity against HCV Jc1/JFH infected in human Huh7.5 cells assessed as reduction of pseudo-plaque formation after 72 hrs by immunoperoxidase monolayer assay |
CHEMBL4138118 |
| Unchecked |
CC50 |
= |
31000.0 |
nM |
Cytotoxicity against human Huh7.5 cells assessed as reduction in cell viability after 72 hrs by MTT method |
CHEMBL4138118 |
| Unchecked |
Ratio CC50/IC50 |
= |
119.23 |
|
Selectivity index, ratio of CC50 for Huh7.5 cells to IC50 for HCV Jc1/JFH |
CHEMBL4138118 |
| Hepatitis C virus |
IC50 |
= |
28.0 |
nM |
Antiviral activity against HCV infected in human Huh7-J17 cells assessed as inhibition of viral RNA replication after 72 hrs by bright-glo luciferase reporter assay |
CHEMBL4138118 |
| Unchecked |
CC50 |
= |
23500.0 |
nM |
Cytotoxicity against human Huh7-J17 cells assessed as decrease in cell viability after 72 hrs by MTT assay |
CHEMBL4138118 |
| Huh-7 |
CC50 |
> |
10000.0 |
nM |
Cytotoxicity against human HuH7 cells assessed as reduction in cell viability by MTT assay |
CHEMBL4177626 |
| Hepatitis C virus |
EC50 |
= |
200.0 |
nM |
Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as inhibition of viral RNA replication after 5 days by RT-PCR method |
CHEMBL4177626 |
| PBMC |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human PBMC assessed as reduction in cell viability after 6 days by trypan blue exclusion assay |
CHEMBL4177626 |
| CCRF-CEM |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human CEM cells assessed as reduction in cell viability after 6 days by trypan blue exclusion assay |
CHEMBL4177626 |
| Vero |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 6 days by trypan blue exclusion assay |
CHEMBL4177626 |
| Hepatitis C virus |
EC90 |
= |
0.5 |
uM |
Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as inhibition of viral RNA replication after 5 days by RT-PCR method |
CHEMBL4177626 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
64.26 |
nM |
Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase assessed as reduction in viral replication after 72 hrs by indirect immunofluorescence assay |
CHEMBL4219241 |
| Hepatitis C virus |
Activity |
|
|
|
Antiviral activity against Hepatitis C virus JFH-1 infected in human HuH7 cells assessed as inhibition of viral RNA replication after 3 days by quantitative real-time RT-PCR analysis |
CHEMBL4251570 |
| Hepatitis C virus |
EC90 |
= |
0.83 |
uM |
Antiviral activity against Hepatitis C virus JFH-1 infected in human HuH7 cells assessed as inhibition of viral RNA replication after 3 days by quantitative real-time RT-PCR analysis |
CHEMBL4251570 |
| Hepatitis C virus |
EC50 |
= |
270.0 |
nM |
Antiviral activity against Hepatitis C virus JFH-1 infected in human HuH7 cells assessed as inhibition of viral RNA replication after 3 days by quantitative real-time RT-PCR analysis |
CHEMBL4251570 |
| Huh-7 |
CC50 |
> |
1000000.0 |
nM |
Cytotoxicity against human HuH7 cells after 72 hrs by CellTiter 96 AQueous one solution cell proliferation assay |
CHEMBL4251570 |
| SARS-CoV-2 |
Hit score |
= |
0.2045 |
|
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 |
| Hepatitis C virus |
EC50 |
= |
170.0 |
nM |
Antiviral activity against HCV JFH-1 harboring K78E/E2-G451R/NS3-M260K/NS5A-T462I mutant infected in human Huh7.5.1 cells after 2 days by renilla luciferase reporter gene assay |
CHEMBL4334439 |
| Vero |
CC50 |
= |
360000.0 |
nM |
Cytotoxicity against African green monkey Vero cells |
CHEMBL4354808 |
| NS5 |
EC50 |
= |
30900.0 |
nM |
Inhibition of RNA-dependent RNA polymerase in Zika virus infected in African green monkey Vero cells assessed as antiviral activity by DAPI-staining based assay |
CHEMBL4354808 |
| NS5 |
EC50 |
= |
120.0 |
nM |
Inhibition of RNA-dependent RNA polymerase in Zika virus infected in human NPC assessed as antiviral activity by DAPI-staining based assay |
CHEMBL4354808 |
| Unchecked |
CC50 |
= |
360000.0 |
nM |
Cytotoxicity against human Neural progenitor cells |
CHEMBL4354808 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
102.0 |
nM |
Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase |
CHEMBL4373658 |
| Dengue virus 2 |
EC50 |
= |
400.0 |
nM |
Antiviral activity against DENV2 New Guinea C/PUO-218 by qRT-PCR analysis |
CHEMBL4396891 |
| Dengue virus 2 |
EC50 |
= |
4900.0 |
nM |
Antiviral activity against DENV2 infected in human Huh7 cells assessed as reduction in virus yield by qRT-PCR analysis |
CHEMBL4396891 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
34.0 |
nM |
Inhibition of NS5B polymerase in wild type HCV genotype 1b infected in human Huh7 replicon cells after 5 days by RT-PCR assay |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
0.15 |
uM |
Inhibition of NS5B polymerase in wild type HCV genotype 1b infected in human Huh7 replicon cells after 5 days by RT-PCR assay |
CHEMBL4411318 |
| Huh-7 |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human HuH7 cells assessed reduction in cell viability after 3 to 5 days by MTT assay |
CHEMBL4411318 |
| PBMC |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human PBMC assessed reduction in cell viability after 5 days by MTT assay |
CHEMBL4411318 |
| CCRF-CEM |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human CCRF-CEM assessed reduction in cell viability after 4 days by MTT assay |
CHEMBL4411318 |
| Vero |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed reduction in cell viability after 3 days by MTT assay |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
61.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 1a infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
0.32 |
uM |
Inhibition of NS5B polymerase in HCV genotype 1a infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
43.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 2a infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
0.13 |
uM |
Inhibition of NS5B polymerase in HCV genotype 2a infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
64.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 1b/3a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
0.37 |
uM |
Inhibition of NS5B polymerase in HCV genotype 1b/3a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
58.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 1b/4a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
0.15 |
uM |
Inhibition of NS5B polymerase in HCV genotype 1b/4a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
44.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 1b/5a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
0.32 |
uM |
Inhibition of NS5B polymerase in HCV genotype 1b/5a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
300.0 |
nM |
Inhibition of NS5B polymerase S282T mutant in HCV genotype 1b infected in human Huh7 replicon cells after 5 days by RT-PCR assay |
CHEMBL4411318 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC90 |
= |
4.4 |
uM |
Inhibition of NS5B polymerase S282T mutant in HCV genotype 1b infected in human Huh7 replicon cells after 5 days by RT-PCR assay |
CHEMBL4411318 |
| Unchecked |
Ratio EC50 |
= |
1.8 |
|
Selectivity ratio of EC50 for HCV genotype 1a NS5B polymerase to EC50 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio EC50 |
= |
1.3 |
|
Selectivity ratio of EC50 for HCV genotype 2a NS5B polymerase to EC50 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio EC50 |
= |
1.8 |
|
Selectivity ratio of EC50 for HCV genotype 1b/3a chimeric replicon NS5B polymerase to EC50 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio EC50 |
= |
1.7 |
|
Selectivity ratio of EC50 for HCV genotype 1b/4a chimeric replicon NS5B polymerase to EC50 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio EC50 |
= |
1.3 |
|
Selectivity ratio of EC50 for HCV genotype 1b/5a chimeric replicon NS5B polymerase to EC50 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio EC50 |
= |
9.0 |
|
Selectivity ratio of EC50 for HCV genotype 1b NS5B polymerase S282T mutant to EC50 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| ADMET |
Tmax |
= |
12.0 |
hr |
Drug metabolism in human primary hepatocytes assessed as Tmax for NTP formation at 10 uM after 2 to 48 hrs by LC-MS/MS analysis |
CHEMBL4411318 |
| ADMET |
T1/2 |
= |
28.2 |
hr |
Half life in human HuH7 cells at 10 uM pretreated for 24 hrs followed by change of media by LC-MS/MS analysis |
CHEMBL4411318 |
| HepG2 |
Inhibition |
= |
44.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA level at 50 uM followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepG2 |
Inhibition |
= |
58.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of nuclear ribosomal-DNA level at 50 uM followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepG2 |
IC50 |
> |
50000.0 |
nM |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA level followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepG2 |
IC50 |
= |
45000.0 |
nM |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of nuclear ribosomal-DNA level followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepG2 |
Activity |
= |
180.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as lactic acid production at 50 uM followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepaRG |
CC50 |
= |
44000.0 |
nM |
Cytotoxicity in human HepaRG cells assessed as reduction in cell viability incubated for 14 days by CellTiter-Glo assay |
CHEMBL4411318 |
| Hepatocyte |
CC50 |
> |
300000.0 |
nM |
Cytotoxicity against human primary hepatocytes assessed as reduction in cell viability after 72 hrs by MTT assay |
CHEMBL4411318 |
| HK-2 |
CC50 |
> |
300000.0 |
nM |
Nephrotoxicity in human HK2 cells after 72 hrs by Hoechst 33342/HCS live/dead green dye-based assay |
CHEMBL4411318 |
| Cardiac muscle cell |
CC50 |
> |
300000.0 |
nM |
Cardiotoxicity against human embryonic stem cell-induced ventricular cardiomyocytes administered on day 7 and measured on day 10 after 30 mins incubation by CellTiter Glo assay |
CHEMBL4411318 |
| ADMET |
T1/2 |
= |
15.3 |
hr |
Half life in human hepatocytes cells at 10 uM pretreated for 12 hrs followed by change of media by LC-MS/MS analysis |
CHEMBL4411318 |
| HepG2 |
Inhibition |
= |
6.7 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of cytochrome c oxidase subunit 2 DNA level at 12.5 uM followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepG2 |
Inhibition |
= |
3.1 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as inhibition of nuclear ribosomal-DNA level at 12.5 uM followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| HepG2 |
Activity |
= |
79.0 |
% |
Mitochondrial toxicity in human HepG2 cells assessed as lactic acid production at 12.5 uM followed by medium plus drugs replenishment every 3 to 4 days for 14 days relative to control |
CHEMBL4411318 |
| Unchecked |
Ratio |
= |
2.1 |
|
Selectivity ratio of EC90 for HCV genotype 1a NS5B polymerase to EC90 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio |
= |
0.9 |
|
Selectivity ratio of EC90 for HCV genotype 2a NS5B polymerase to EC90 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio |
= |
2.5 |
|
Selectivity ratio of EC90 for HCV genotype 1b/3a chimeric replicon NS5B polymerase to EC90 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio |
= |
1.0 |
|
Selectivity ratio of EC90 for HCV genotype 1b/4a chimeric replicon NS5B polymerase to EC90 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio |
= |
2.2 |
|
Selectivity ratio of EC90 for HCV genotype 1b/5a chimeric replicon NS5B polymerase to EC90 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Unchecked |
Ratio |
= |
29.0 |
|
Selectivity ratio of EC90 for HCV genotype 1b NS5B polymerase S282T mutant to EC90 for wild type HCV genotype 1b NS5B polymerase |
CHEMBL4411318 |
| Hepatitis C virus |
EC50 |
= |
50.0 |
nM |
Antiviral activity against HCV genotype 1b subgenomic replicon infected in human HuH7 clone B cells assessed as inhibition of viral RNA replication after 5 days by RT-PCR method |
CHEMBL4411320 |
| PBMC |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human PBMC after 6 days by trypan blue exclusion method |
CHEMBL4411320 |
| Huh-7 |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human HuH7 cells assessed as reduction in rRNA levels after 5 days by RT-PCR analysis |
CHEMBL4411320 |
| Hepatitis C virus |
EC90 |
= |
0.37 |
uM |
Antiviral activity against HCV genotype 1b subgenomic replicon infected in human HuH7 clone B cells assessed as inhibition of viral RNA replication after 5 days by RT-PCR method |
CHEMBL4411320 |
| CCRF-CEM |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human CEM cells after 6 days by trypan blue exclusion method |
CHEMBL4411320 |
| Vero |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against African green monkey Vero cells after 3 days by hemocytometric method |
CHEMBL4411320 |
| Huh-7 |
CC50 |
> |
20000.0 |
nM |
Cytotoxicity against human HuH7 cells infected with HCV genotype 1b replicon after 72 hrs by CellTiter-Fluor reagent based fluorescence assay |
CHEMBL4411327 |
| Hepatitis C virus |
Inhibition |
= |
99.9 |
% |
Antiviral activity against HCV genotype 1b replicon infected in human HuH7 cells at 20 uM after 72 hrs by bright-glo luciferase reporter gene assay relative to control |
CHEMBL4411327 |
| Hepatitis C virus |
EC50 |
= |
180.0 |
nM |
Antiviral activity against HCV genotype 1b replicon infected in human HuH7 cells after 72 hrs by bright-glo luciferase reporter gene assay |
CHEMBL4411327 |
| ADMET |
T1/2 |
= |
0.4 |
hr |
Half life in human |
CHEMBL4609973 |
| Hepatitis C virus serine protease, NS3/NS4A |
Inhibition |
= |
61.0 |
% |
Inhibition of HCV NS3/4a protease |
CHEMBL4609973 |
| ADMET |
F |
= |
92.0 |
% |
Oral bioavailability in human |
CHEMBL4609973 |
| Hepatitis C virus |
EC50 |
= |
62.0 |
nM |
Antiviral activity against HCV genotype 1b Con1 expressing wild type NS5B infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
637.6 |
nM |
Antiviral activity against HCV genotype 1b Con1 expressing NS5B S282T mutant infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
681.3 |
nM |
Antiviral activity against HCV genotype 2a expressing wild type NS5B infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
1002.0 |
nM |
Antiviral activity against HCV genotype 2a expressing NS5B S282T mutant infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
75.1 |
nM |
Antiviral activity against HCV genotype 3a expressing wild type NS5B infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
330.1 |
nM |
Antiviral activity against HCV genotype 3a expressing NS5B S282T mutant infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
78.5 |
nM |
Antiviral activity against HCV genotype 4a expressing wild type NS5B infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
86.7 |
nM |
Antiviral activity against HCV genotype 6a expressing wild type NS5B infected in human HuH7 replicon cells assessed as inhibition of viral replication after 4 days by luciferase reporter gene based assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
155.0 |
nM |
Antiviral activity against HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
188.0 |
nM |
Antiviral activity against HCV genotype 1b Con1 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay |
CHEMBL4609978 |
| Huh-7 |
TD50 |
> |
100.0 |
uM |
Cytotoxicity against human HuH7 cells assessed as reduction in cell viability |
CHEMBL4609978 |
| ADMET |
Drug metabolism |
= |
97.0 |
uM |
Prodrug conversion in human primary hepatocytes assessed as nucleotide triphosphate level at 100 uM incubated for 4 hrs followed by compound wash-out for 20 hrs and measured following 4 hrs incubation period by LC-MS/MS analysis |
CHEMBL4609978 |
| ADMET |
Drug metabolism |
= |
122.0 |
uM |
Prodrug conversion in human primary hepatocytes assessed as nucleotide triphosphate level at 100 uM incubated for 4 hrs and followed by compound washout for 20 hrs and measured following 24 hrs incubation period by LC-MS/MS analysis |
CHEMBL4609978 |
| Hepatitis C virus |
EC50 |
= |
53.0 |
nM |
Antiviral activity against HCV genotype 1b Con1 over expressing CES1 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay |
CHEMBL4609978 |
| No relevant target |
LogD |
= |
3.02 |
|
Distribution coefficient, logD of compound by HT-LCMS analysis |
CHEMBL4609978 |
| No relevant target |
Solubility |
> |
200000.0 |
nM |
Aqueous solubility of compound in pH 7.4 phosphate buffer |
CHEMBL4609978 |
| ADMET |
Stability |
= |
93.0 |
% |
Stability in dog plasma assessed as parent compound remaining after 4 hrs |
CHEMBL4609978 |
| ADMET |
Stability |
= |
96.0 |
% |
Stability in human plasma assessed as parent compound remaining after 4 hrs |
CHEMBL4609978 |
| ADMET |
Fu |
= |
0.32299999999999995 |
|
Unbound drug level in dog plasma |
CHEMBL4609978 |
| ADMET |
Fu |
= |
0.563 |
|
Unbound drug level in human plasma |
CHEMBL4609978 |
| ADMET |
CL |
= |
40.0 |
mL.min-1.kg-1 |
Intrinsic clearance in dog hepatocytes |
CHEMBL4609978 |
| ADMET |
CL |
= |
71.67 |
mL.min-1.kg-1 |
Intrinsic clearance in human hepatocytes |
CHEMBL4609978 |
| Unchecked |
Ratio CC50/EC50 |
> |
1917.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity in human Huh7.5 cells assessed as reduction in cell viability incubated for 96 hrs by MTT assay to EC50 for antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells incubated for 72 hrs by In-Cell Western assay |
CHEMBL4613269 |
| Unchecked |
CC50 |
> |
200000.0 |
nM |
Cytotoxicity in human Huh7.5 cells assessed as reduction in cell viability incubated for 96 hrs by MTT assay |
CHEMBL4613269 |
| Hepatitis C virus |
EC50 |
= |
104.0 |
nM |
Antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells incubated for 72 hrs by In-Cell Western assay |
CHEMBL4613269 |
| Hepatitis C virus |
EC50 |
= |
46.0 |
nM |
Antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells assessed as reduction in viral RNA levels incubated for 72 hrs by qRT-PCR analysis |
CHEMBL4613269 |
| Unchecked |
Ratio CC50/EC50 |
> |
4347.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity in human Huh7.5 cells assessed as reduction in cell viability incubated for 96 hrs by MTT assay to EC50 antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells assessed as reduction in viral RNA levels incubated for 72 hrs by qRT-PCR analysis |
CHEMBL4613269 |
| Hepatitis C virus |
EC50 |
= |
29.4 |
nM |
Antiviral activity against wild type HCV by qRT-PCR analysis based by Reed-Muench method |
CHEMBL4613269 |
| Hepatitis C virus |
EC50 |
= |
147.9 |
nM |
Antiviral activity against HCV expressing NS5B S282T mutant by qRT-PCR analysis based by Reed-Muench method |
CHEMBL4613269 |
| Dengue virus 2 |
IC50 |
= |
3800.0 |
nM |
Antiviral activity against Dengue virus serotype 2 New Guinea C infected at 50 TCID50 in human HuH7 cells assessed as inhibition of viral replication and 72 hrs later re-infected pre-seeded HuH7 cells with viral supernatant collected from previous infected and measured after 72 hrs by immunodetection assay |
CHEMBL4613314 |
| Huh-7 |
CC50 |
= |
200000.0 |
nM |
Cytotoxicity against human HuH7 cells assessed as reduction in cell viability by measuring ATP level measured after 72 hrs by CellTiter-Glo luminescent assay |
CHEMBL4613314 |
| Unchecked |
Ratio CC50/EC50 |
= |
52.6 |
|
Selectivity index, ratio of CC50 for human HuH7 cells assessed as reduction in cell viability by measuring ATP level measured after 72 hrs by CellTiter-Glo luminescent assay to EC50 for Dengue virus serotype 2 New Guinea C infected at 50 TCID50 in human HuH7 cells assessed as inhibition of viral replication and 72 hrs later re-infected pre-seeded HuH7 cells with viral supernatant collected from previous infected and measured after 72 hrs by immunodetection assay |
CHEMBL4613314 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
155.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay |
CHEMBL4627278 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase |
EC50 |
= |
230.0 |
nM |
Inhibition of NS5B polymerase in HCV genotype 1b Con1 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay |
CHEMBL4627278 |
| No relevant target |
Solubility |
> |
200000.0 |
nM |
Aqueous solubility of compound at pH 7.4 |
CHEMBL4627278 |
| ADMET |
Drug metabolism |
= |
97.0 |
uM |
Prodrug conversion in human hepatocytes assessed as nucleotide triphosphate level at 100 uM after 4 hrs |
CHEMBL4627278 |
| ADMET |
Drug metabolism |
= |
122.0 |
uM |
Prodrug conversion in human hepatocytes assessed as nucleotide triphosphate level at 100 uM incubated for 4 hrs followed by compound washout and further incubated in fresh media for 24 hrs |
CHEMBL4627278 |
| ADMET |
CL |
= |
71.67 |
mL.min-1.kg-1 |
Intrinsic clearance in human hepatocytes |
CHEMBL4627278 |
| No relevant target |
LogD |
= |
3.02 |
|
Lipophilicity, log D of compound |
CHEMBL4627278 |
| ADMET |
T1/2 |
= |
2.0 |
hr |
Half life in human hepatocytes |
CHEMBL4627278 |
| Huh-7 |
TD50 |
> |
100.0 |
uM |
Cytotoxicity against human HuH7 cells assessed as reduction in cell viability |
CHEMBL4627278 |
| Cereblon isoform 4 |
Ki |
= |
22000.0 |
nM |
Binding affinity to Magnetospirillum gryphiswaldense cereblon isoform by FRET assay |
CHEMBL4673389 |
| Protein cereblon |
IC50 |
> |
1000000.0 |
nM |
Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence by MST based assay |
CHEMBL4673389 |
| Cereblon isoform 4 |
Ki |
= |
27000.0 |
nM |
Binding affinity to Magnetospirillum gryphiswaldense cereblon isoform 4 by measuring baseline corrected normalized fluorescence by MST based assay |
CHEMBL4673389 |
| Hepatitis C virus |
EC50 |
= |
30.0 |
nM |
Antiviral activity against HCV subtype 1b infected in human HuH-7-Luc/Neo-ET cells by luciferase replicon-reporter gene assay |
CHEMBL4699495 |
| Unchecked |
TC50 |
> |
1.0 |
uM |
Cytotoxicity against human HuH-7-Luc/Neo-ET cells |
CHEMBL4699495 |
| ADMET |
Ratio |
> |
29.2 |
|
Therapeutic index, ratio of TC50 for human HuH-7-Luc/Neo-ET cells to EC50 for HCV infected in human HuH7-Luc/Neo-ET cells |
CHEMBL4699495 |
| Unchecked |
Ratio EC50 |
= |
4.5 |
|
Resistance ratio of EC50 for antiviral activity against HCV J6/JFH/JC1 harboring S282T mutant infected in human Huh7.5 cells to EC50 for antiviral activity against wild-type HCV J6/JFH/JC1 infected in human Huh7.5 cells |
CHEMBL4715793 |
| Hepatitis C virus |
EC50 |
= |
290.0 |
nM |
Antiviral activity against HCV J6/JFH/JC1 harboring S282T mutant infected in human Huh7.5 cells assessed as inhibition of viral replication measured after 72 hrs by qRT-PCR analysis |
CHEMBL4715793 |
| Hepatitis C virus |
EC50 |
= |
64.0 |
nM |
Antiviral activity against wild-type HCV J6/JFH/JC1 infected in human Huh7.5 cells assessed as inhibition of viral replication measured after 72 hrs by qRT-PCR analysis |
CHEMBL4715793 |
| Huh-7 |
CC50 |
= |
200000.0 |
nM |
Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability by Celltiter-Glo luminescent cell viability assay |
CHEMBL4842338 |
| Dengue virus 2 |
IC50 |
= |
4700.0 |
nM |
Antiviral activity against Dengue virus serotype 2 New Guinea C infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based secondary yield reduction assay |
CHEMBL4842338 |
| Dengue virus 2 |
IC50 |
= |
4600.0 |
nM |
Antiviral activity against Dengue virus serotype 2 New Guinea C infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based direct yield reduction assay |
CHEMBL4842338 |
| Dengue virus 2 |
IC50 |
= |
3800.0 |
nM |
Antiviral activity against Dengue virus serotype 2 New Guinea C infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based plaque reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
42.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Dengue virus serotype 2 New Guinea C infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based secondary yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
43.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Dengue virus serotype 2 New Guinea C infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based direct yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
50.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Dengue virus serotype 2 New Guinea C infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based plaque reduction assay |
CHEMBL4842338 |
| Zika virus |
IC50 |
= |
3200.0 |
nM |
Antiviral activity against Zika virus H/PF/2013 infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based secondary yield reduction assay |
CHEMBL4842338 |
| Zika virus |
IC50 |
= |
2700.0 |
nM |
Antiviral activity against Zika virus H/PF/2013 infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based direct yield reduction assay |
CHEMBL4842338 |
| Zika virus |
IC50 |
= |
2000.0 |
nM |
Antiviral activity against Zika virus H/PF/2013 infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based plaque reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
62.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Zika virus H/PF/2013 infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based secondary yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
74.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Zika virus H/PF/2013 infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based direct yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
100.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Zika virus H/PF/2013 infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 72 hrs by immunodetection based plaque reduction assay |
CHEMBL4842338 |
| West Nile virus |
IC50 |
|
|
|
Antiviral activity against West Nile virus lineage 1 (Italy/2009) infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 48 hrs by immunodetection based secondary yield reduction assay |
CHEMBL4842338 |
| West Nile virus |
IC50 |
= |
1700.0 |
nM |
Antiviral activity against West Nile virus lineage 1 (Italy/2009) infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 48 hrs by immunodetection based direct yield reduction assay |
CHEMBL4842338 |
| West Nile virus |
IC50 |
= |
1200.0 |
nM |
Antiviral activity against West Nile virus lineage 1 (Italy/2009) infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 48 hrs by immunodetection based plaque reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
117.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for West Nile virus lineage 1 (Italy/2009) infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 48 hrs by immunodetection based direct yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
166.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for West Nile virus lineage 1 (Italy/2009) infected in pre-seeded Huh-7 cells assessed as inhibition of viral replication incubated for 48 hrs by immunodetection based plaque reduction assay |
CHEMBL4842338 |
| Unchecked |
Activity |
|
|
|
Effect on formation of DENV replication complex in human Huh-7 cells assessed as reduction in expression of NS3 at 100 uM measured after 8 to 24 hrs by DAPI staining based confocal microscopy analysis |
CHEMBL4842338 |
| Unchecked |
Activity |
|
|
|
Effect on formation of DENV replication complex in human Huh-7 cells assessed as reduction in expression of NS5 at 100 uM measured after 8 to 24 hrs by DAPI staining based confocal microscopy analysis |
CHEMBL4842338 |
| Unchecked |
Activity |
|
|
|
Effect on formation of DENV replication complex in human Huh-7 cells assessed as reduction in NS5 translocation into nucleus at 100 uM measured after 16 to 24 hrs by DAPI staining based confocal microscopy analysis |
CHEMBL4842338 |
| Unchecked |
Activity |
|
|
|
Effect on formation of DENV replication complex in human Huh-7 cells assessed as reduction NS3 translocation into cytoplasm at 100 uM measured after 16 to 24 hrs by DAPI staining based confocal microscopy analysis |
CHEMBL4842338 |
| Huh-7.5 |
CC50 |
> |
200000.0 |
nM |
Cytotoxicity against human Huh7.5 cells assessed as reduction in cell viability incubated for 96 hrs by MTT assay |
CHEMBL5038651 |
| Hepatitis C virus |
EC50 |
= |
82.0 |
nM |
Antiviral activity against HCV infected in human Huh7.5 cells incubated for 72 hrs by in-cell western assay |
CHEMBL5038651 |
| ADMET |
Ratio CC50/EC50 |
> |
2445.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity against human Huh7.5.1 cells to EC50 for antiviral activity against HCV infected in human Huh7.5.1 cells |
CHEMBL5038651 |
| ADMET |
Ratio |
> |
3278.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity against human Huh7.5.1 cells to EC50 for antiviral activity against HCV infected in human Huh7.5.1 cells |
CHEMBL5038651 |
| Hepatitis C virus |
EC50 |
= |
128.66 |
nM |
Antiviral activity against HCVcc infected in human Huh7.5 cells assessed as inhibition of viral replication |
CHEMBL5038651 |
| Hepatitis C virus |
EC50 |
= |
180.0 |
nM |
Antiviral activity against HCV infected in human Huh7.5 cells carrying HCV subgenomic replicons assessed as inhibition of viral replication |
CHEMBL5038651 |
| Huh-7.5 |
CC50 |
= |
170850.0 |
nM |
Cytotoxicity against human Huh7.5 cells infected with HCVcc assessed as reduction in cell viability incubated for 96 hrs by MTT assay |
CHEMBL5038651 |
| Huh-7.5 |
CC50 |
= |
121470.0 |
nM |
Cytotoxicity against human Huh7.5 cells carrying HCV subgenomic replicons assessed as reduction in cell viability incubated for 96 hrs by MTT assay |
CHEMBL5038651 |
| Unchecked |
Activity |
|
|
|
Binding affinity to HCV E1 protein at 12.5 to 200 uM by SPR analysis |
CHEMBL5038651 |
| ADMET |
Ratio CC50/EC50 |
= |
1328.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity against human Huh7.5 cells infected with HCVcc to EC50 for antiviral activity against HCVcc infected in human Huh7.5 cells |
CHEMBL5038651 |
| Hepatitis C virus |
Activity |
|
|
|
Antiviral activity against HCV infected in human Huh7.5 cells assessed as reduction in HCV core protein expression at 6.4 nM incubated for 72 hrs by in-cell western assay |
CHEMBL5038651 |
| Hepatitis C virus |
EC50 |
= |
30.0 |
nM |
Antiviral activity against HCV by replicon assay |
CHEMBL5131483 |
