| Ebolavirus |
EC50 |
= |
100.0 |
nM |
Antiviral activity against Ebolavirus Kikwit infected in human HeLa cells assessed as reduction in viral glycoprotein levels preincubated with cells for 2 hrs followed by viral infection measured after 48 hrs by immunostaining based assay |
CHEMBL4007399 |
| Ebolavirus |
EC50 |
= |
53.0 |
nM |
Antiviral activity against GFP-fused Ebolavirus infected in TERT-immortalized HMVEC assessed as reduction in viral replication preincubated with cells followed by viral infection measured after 3 to 4 days by fluorescence assay |
CHEMBL4007399 |
| Respiratory syncytial virus |
EC50 |
= |
15.0 |
nM |
Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2 cells assessed as reduction of virus-induced cytopathic effect after 4 days by Cell-Titer Glo assay |
CHEMBL4007399 |
| Hepatitis C virus |
EC50 |
= |
57.0 |
nM |
Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH7 cells preincubated with cells for 3 days followed by viral infection by luciferase assay |
CHEMBL4007399 |
| HEp-2 |
CC50 |
= |
6100.0 |
nM |
Cytotoxicity against human Hep2 cells assessed as reduction in cell viability after 4 to 5 days by Cell-Titer Glo assay |
CHEMBL4007399 |
| Huh-7 |
CC50 |
= |
36000.0 |
nM |
Cytotoxicity against human HuH7 cells assessed as reduction in cell viability after 3 days by calcein-AM dye based fluorescence assay |
CHEMBL4007399 |
| MT4 |
CC50 |
= |
1700.0 |
nM |
Cytotoxicity against human MT4 cells assessed as reduction in cell viability after 4 to 5 days by Cell-Titer Glo assay |
CHEMBL4007399 |
| ADMET |
Ratio CC50/EC50 |
= |
17.0 |
|
Selectivity ratio of CC50 for human MT4 cells to EC50 for Ebolavirus infected in human HeLa cells |
CHEMBL4007399 |
| ADMET |
Ratio CC50/EC50 |
= |
17.0 |
|
Selectivity ratio of CC50 for human MT4 cells to EC50 for Ebolavirus infected in TERT-immortalized HMVEC |
CHEMBL4007399 |
| Ebolavirus |
EC50 |
= |
86.0 |
nM |
Antiviral activity against Ebolavirus Kikwit infected in human macrophages preincubated with cells for 2 hrs followed by viral infection measured after 48 hrs |
CHEMBL4007399 |
| Plasma |
T1/2 |
= |
1.15 |
hr |
Half life in human plasma at 2 uM by LC/MS/MS analysis |
CHEMBL4007399 |
| No relevant target |
LogD |
= |
2.1 |
|
Lipophilicity, log D of the compound after 30 mins by HPLC/UV method |
CHEMBL4007399 |
| Plasma |
Drug metabolism |
|
|
|
Prodrug conversion in rhesus monkey plasma assessed as (2R,3R,4S,5R)-2-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile formation at 10 mg/kg, iv administered as single bolus dose |
CHEMBL4007399 |
| PBMC |
Drug metabolism |
|
|
|
Drug metabolism in rhesus monkey PBMC assessed as ((2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate levels at 10 mg/kg, iv administered as single bolus dose up to 2 hrs |
CHEMBL4007399 |
| PBMC |
TIME |
= |
24.0 |
hr |
Time at which plasma concentration greater than in vitro EBOV antiviral IC50 in rhesus monkey PBMC assessed as ((2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate levels at 10 mg/kg, iv administered as single bolus |
CHEMBL4007399 |
| PBMC |
T1/2 |
= |
14.0 |
hr |
Half life in rhesus monkey PBMC assessed as ((2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate levels at 10 mg/kg, iv administered as single bolus |
CHEMBL4007399 |
| Ebolavirus |
Activity |
|
|
|
Antiviral activity against Ebolavirus infected in rhesus monkey assessed as reduction in systemic viremia at 3 mg/kg, iv qd administered continuously starting from day 2 post infection for 12 days |
CHEMBL4007399 |
| Ebolavirus |
Survival |
= |
66.0 |
% |
Antiviral activity against Ebolavirus infected in rhesus monkey assessed as survival rate at 3 mg/kg, iv qd administered continuously starting from day 3 post infection for 12 days measured on day 28 (Rvb = 33%) |
CHEMBL4007399 |
| Ebolavirus |
Activity |
|
|
|
Antiviral activity against Ebolavirus infected in rhesus monkey assessed as increase in survival at 10 mg/kg, iv administered daily starting from day 3 post infection followed by 3 mg/kg for 11 days measured up to 28 days |
CHEMBL4007399 |
| Ebolavirus |
Activity |
< |
80000.0 |
/ml |
Antiviral activity against Ebolavirus infected in rhesus monkey assessed as viral RNA copies at 10 mg/kg, iv administered daily administered daily starting from day 3 post infection measured on day 5 and 7 (Rvb = 10'9 copies/ml) |
CHEMBL4007399 |
| ADMET |
Drug uptake |
|
|
|
Drug uptake in cynomolgus monkey testes at 10 mg/kg, iv at 4 hrs post dose |
CHEMBL4007399 |
| ADMET |
Drug uptake |
|
|
|
Drug uptake in cynomolgus monkey epididymis at 10 mg/kg, iv at 4 hrs post dose |
CHEMBL4007399 |
| Plasma |
Drug uptake |
|
|
|
Drug uptake in cynomolgus monkey plasma at 10 mg/kg, iv at 4 hrs post dose |
CHEMBL4007399 |
| ADMET |
Drug uptake |
|
|
|
Drug metabolism in cynomolgus monkey testes at 10 mg/kg, iv after 168 hrs post dose |
CHEMBL4007399 |
| Brain |
Drug uptake |
|
|
|
Drug uptake in cynomolgus monkey brain at 10 mg/kg, iv at 4 hrs post dose |
CHEMBL4007399 |
| Brain |
Drug uptake |
|
|
|
Drug uptake in cynomolgus monkey brain at 10 mg/kg, iv at 168 hrs post dose |
CHEMBL4007399 |
| Homo sapiens |
Activity |
|
|
|
Toxicity in iv dosed phase-1 acute meningoencephalytis patient administered as single dose |
CHEMBL4007399 |
| Ebolavirus |
Activity |
|
|
|
Antiviral activity against Ebolavirus in phase-1 acute meningoencephalytis patient assessed as viral clearance in plasma at 150 mg, iv qd administered daily for 2 days followed by 225 mg for 14 days |
CHEMBL4007399 |
| Ebolavirus |
Activity |
|
|
|
Antiviral activity against Ebolavirus in phase-1 acute meningoencephalytis patient assessed as viral clearance in CNS at 150 mg, iv qd administered daily for 2 days followed by 225 mg for 14 days |
CHEMBL4007399 |
| Homo sapiens |
Activity |
|
|
|
Toxicity in phase-1 acute meningoencephalytis patient at 150 mg, iv qd administered daily for 2 days followed by 225 mg for 14 days |
CHEMBL4007399 |
| Ebolavirus |
Activity |
|
|
|
Antiviral activity against Ebolavirus infected in newborn infant assessed as viral clearance |
CHEMBL4007399 |
| Ebolavirus |
Survival |
= |
100.0 |
% |
Antiviral activity against Ebolavirus infected in rhesus monkey assessed as survival rate at 10 mg/kg, iv administered daily starting from day 3 post infection for 12 days relative to control |
CHEMBL4007399 |
| ADMET |
T1/2 |
= |
16.0 |
hr |
Half life in human primary macrophages assessed as nucleoside triphosphate level at 10 uM |
CHEMBL4020813 |
| Ebolavirus |
EC50 |
= |
86.0 |
nM |
Antiviral activity against Ebolavirus infected in human primary macrophages after 48 hrs by immuno-staining assay |
CHEMBL4020813 |
| Ebolavirus |
EC50 |
= |
140.0 |
nM |
Antiviral activity against Ebolavirus infected in human HeLa cells after 48 hrs by immuno-staining assay |
CHEMBL4020813 |
| Ebolavirus |
EC50 |
= |
70.0 |
nM |
Antiviral activity against Ebolavirus infected in human HuH7 cells after 3 days by end point dilution assay |
CHEMBL4020813 |
| Macrophage cell line |
CC50 |
> |
20000.0 |
nM |
Cytotoxicity against human primary macrophages after 4 to 5 days by Cell-Titer Glo viability assay |
CHEMBL4020813 |
| HeLa |
CC50 |
> |
20000.0 |
nM |
Cytotoxicity against human HeLa after 4 to 5 days by Cell-Titer Glo viability assay |
CHEMBL4020813 |
| Huh-7 |
CC50 |
> |
20000.0 |
nM |
Cytotoxicity against human HuH7 after 4 to 5 days by Cell-Titer Glo viability assay |
CHEMBL4020813 |
| Plasma |
T1/2 |
= |
0.39 |
hr |
Half life in rhesus monkey plasma at 10 mg/kg, iv administered as bolus dose by LC-MS/MS analysis |
CHEMBL4020813 |
| PBMC |
T1/2 |
= |
14.0 |
hr |
Half life in rhesus monkey PBMC at 10 mg/kg, iv administered as bolus dose by LC-MS/MS analysis |
CHEMBL4020813 |
| Ebolavirus |
Survival |
= |
50.0 |
% |
Antiviral activity against Ebolavirus H. sapiens-tc/COD/1995/Kikwit infected in rhesus monkey assessed as host survival at 3 mg/kg, iv administered as bolus dose |
CHEMBL4020813 |
| Ebolavirus |
Survival |
= |
100.0 |
% |
Antiviral activity against Ebolavirus H. sapiens-tc/COD/1995/Kikwit infected in rhesus monkey assessed as host survival at 10 mg/kg, iv administered as bolus dose |
CHEMBL4020813 |
| SARS-CoV-2 |
EC50 |
= |
620.0 |
nM |
Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs |
CHEMBL4303082 |
| SARS-CoV-2 |
IC50 |
= |
11410.0 |
nM |
Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr |
CHEMBL4303084 |
| Vero |
CC50 |
> |
25000.0 |
nM |
Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr |
CHEMBL4303084 |
| ADMET |
Selectivity index |
= |
2.19 |
|
Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50) |
CHEMBL4303084 |
| SARS-CoV-2 |
EC50 |
= |
1650.0 |
nM |
Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days |
CHEMBL4303097 |
| SARS-CoV-2 |
EC90 |
= |
2.52 |
uM |
Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days |
CHEMBL4303097 |
| SARS-CoV-2 |
IC50 |
= |
760.0 |
nM |
Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging |
CHEMBL4303101 |
| Caco-2 |
CC50 |
= |
2584380.0 |
nM |
Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay |
CHEMBL4303101 |
| ADMET |
Selectivity index |
= |
3395.0 |
|
Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50) |
CHEMBL4303101 |
| SARS-CoV-2 |
Hit score |
= |
0.9631 |
|
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 |
= |
0.5934 |
|
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 |
| SARS coronavirus |
EC50 |
= |
69.0 |
nM |
Antiviral activity against SARS coronavirus infected in primary HAE cells |
CHEMBL4619785 |
| Unchecked |
CC50 |
> |
10000.0 |
nM |
Cytotoxic activity in HAE cells |
CHEMBL4619785 |
| Middle East respiratory syndrome-related coronavirus |
EC50 |
= |
74.0 |
nM |
Antiviral activity against Middle East respiratory syndrome coronavirus infected in primary HAE cells |
CHEMBL4619785 |
| ADMET |
T1/2 |
= |
0.4167 |
hr |
Half life carboxylesterase 1c deficient mouse |
CHEMBL4619785 |
| ADMET |
T1/2 |
= |
0.4 |
hr |
Half life in serum of rhesus monkey Infected with SARS-CoV-2 at 10 mg/kg, iv dosed 12 hrs after postinoculation with SARSCoV-2 and then followed by 5 mg/kg, iv dosed every 24 hrs |
CHEMBL4619785 |
| SARS-CoV-2 |
IC50 |
= |
23000.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells preincubated for 1 hr followed by viral infection at MOI of 0.02 and measured after 48 hrs by qRT-PCR method |
CHEMBL4665896 |
| SARS-CoV-2 |
IC50 |
= |
7010.0 |
nM |
Antiviral activity against SARS-CoV-2 betaCoV/KOR/KCDC03/2020 infected in African green monkey Vero cells assessed as inhibition of virus-induced cytopathic effect measured after 24 hrs by immunofluorescence assay |
CHEMBL4673272 |
| Vero |
CC50 |
> |
25000.0 |
nM |
Cytotoxicity against African green monkey Vero cells infected with SARS-CoV-2 betaCoV/KOR/KCDC03/2020 assessed as reduction in cell viability measured after 72 hrs by CellTiter-Glo Luminescent Cell Viability Assay |
CHEMBL4673272 |
| Unchecked |
Ratio CC50/IC50 |
= |
3.6 |
|
Selectivity index, ratio of CC50 for African green monkey Vero cells infected with SARS-CoV-2 betaCoV/KOR/KCDC03/2020 to IC50 for SARS-CoV-2 betaCoV/KOR/KCDC03/2020 |
CHEMBL4673272 |
| Vero |
CC50 |
> |
40000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as reduction in cell growth by coulter counter analysis |
CHEMBL4673379 |
| Vero |
MCC |
> |
40000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as alteration in cell morphology by microscopic analysis |
CHEMBL4673379 |
| SARS-CoV-2 |
EC50 |
= |
1520.0 |
nM |
Antiviral activity against SARS-CoV-2 UC-1075 infected in African green monkey Vero cells assessed as reduction in virus plaque formation measured on day 5 post-viral infection by microscopic analysis |
CHEMBL4673379 |
| SARS-CoV-2 |
EC50 |
= |
5800.0 |
nM |
Antiviral activity against SARS-CoV-2 UC-1074 infected in African green monkey Vero cells assessed as reduction in virus plaque formation measured on day 5 post-viral infection by microscopic analysis |
CHEMBL4673379 |
| SARS-CoV-2 |
EC50 |
= |
770.0 |
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 |
| SARS-CoV-2 |
EC90 |
= |
1.76 |
uM |
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 |
= |
100000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells by the CCK8 assay |
CHEMBL4715853 |
| Unchecked |
Ratio CC50/EC50 |
> |
129.0 |
|
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 |
| Human coronavirus OC43 |
EC50 |
= |
150.0 |
nM |
Antiviral activity against wild type HCoV-OC43 infected in human Huh-7 cells preincubated for 1 hrs followed by overlaying with reduced-serum Medium and measured after 72 hrs ELISpot assay |
CHEMBL4715853 |
| Huh-7 |
CC50 |
> |
10000.0 |
nM |
Cytotoxicity against human Huh-7 cells by CellTiter-Glo assay |
CHEMBL4715853 |
| Unchecked |
Ratio CC50/EC50 |
> |
66.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to EC50 for HCoV-OC43 infected in human Huh-7 cells |
CHEMBL4715853 |
| Human coronavirus 229E |
EC50 |
= |
24.0 |
nM |
Antiviral activity against HCoV-229E infected in human Huh7 cells assessed as reduction in virus induced cytopathic effect incubated for 6 days by cellTiter-Glo assay |
CHEMBL4715853 |
| Huh-7 |
CC50 |
> |
10000.0 |
nM |
Cytotoxicity against human Huh7 cells incubated for 6 days by cellTiter-Glo assay |
CHEMBL4715853 |
| Unchecked |
Ratio CC50/EC50 |
> |
400.0 |
|
Selectivity ratio of CC50 for human Huh7 cells to EC50 for HCoV-229E infected in human Huh-7 cells |
CHEMBL4715853 |
| SARS-CoV |
EC50 |
= |
60.0 |
nM |
Antiviral activity against SARS-CoV expressing green fluorescent protein infected in human airway epithelial cells incubated for 48 hrs by RT-PCR method |
CHEMBL4715853 |
| Unchecked |
CC50 |
> |
10000.0 |
nM |
Cytotoxicity against HAE cells by CellTiter-Glo assay |
CHEMBL4715853 |
| Unchecked |
Ratio CC50/EC50 |
> |
167.0 |
|
Selectivity ratio of CC50 for HAE cells to EC50 for SARS-CoV expressing green fluorescent protein infected in human airway epithelial cells |
CHEMBL4715853 |
| SARS-CoV-2 |
EC50 |
= |
3010.0 |
nM |
Antiviral activity against SARS coronavirus 2 infected in Vero E6 cells assessed as plague reduction measured after 1 hr |
CHEMBL4732244 |
| ADMET |
CL |
= |
32.0 |
mL.min-1.kg-1 |
Clearance in cynomolgus monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Vdss |
= |
0.45 |
L.kg-1 |
Volume of distribution at steady state in cynomolgus monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| Human respiratory syncytial virus |
EC50 |
= |
15.0 |
nM |
Antiviral activity against RSV A2 infected in HEp-2 cells assessed as reduction in virus-induced cytopathic effect after 4 days by CellTiter Glo viability assay |
CHEMBL4823256 |
| HEp-2 |
CC50 |
= |
6100.0 |
nM |
Cytotoxicity against human HEp-2 cells assessed as reduction in cell viability incubated for 4 to 5 days by CellTiter Glo viability assay |
CHEMBL4823256 |
| No relevant target |
LogD |
= |
2.4 |
|
Lipophilicity, log D of compound in acetonitrile and water shaken for 30 mins by HPLC/UV analysis |
CHEMBL4823256 |
| ADMET |
F |
< |
1.0 |
% |
Oral bioavailability in cynomolgus monkey at 20 mg/kg by LC-MS/MS method |
CHEMBL4823256 |
| ADMET |
Ratio CC50/EC50 |
= |
407.0 |
|
Selectivity index, ratio of CC50 for human HEp-2 cells to EC50 for RSV A2 infected in HEp-2 cells |
CHEMBL4823256 |
| Respiratory syncytial virus |
EC50 |
= |
49.0 |
nM |
Antiviral activity against RSV infected in NHBE cells after 3 days by ONE-Glo luciferase assay |
CHEMBL4823256 |
| Human respiratory syncytial virus |
Activity |
= |
2.5 |
log10CFU |
Antiviral activity against RSV A2 infected in HAE cells assessed as reduction in viral load at 0.25 uM after 3 days by RT-qPCR analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
|
|
|
Drug metabolism in human HEp-2 cells assessed as 1-NTP formation at 1 to 10 uM after 2 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
22.0 |
pmol |
Drug metabolism in human HEp-2 cells assessed as 1-NTP metabolite concentration at 1 uM over 48 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
20.5 |
pmol |
Drug metabolism in normal human bronchial epithelial cells assessed as 1-NTP metabolite concentration at 1 uM over 48 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
6.54 |
pmol |
Drug metabolism in HAE cells assessed as 1-NTP metabolite concentration at 1 uM over 48 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
IC50 |
= |
110.0 |
nM |
Drug metabolism in human HEp-2 cells assessed as 1-NTP metabolite concentration at EC50 over 48 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
IC50 |
= |
140.0 |
nM |
Drug metabolism in NHBE cells assessed as 1-NTP metabolite concentration at EC50 over 48 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Cmax |
= |
5000.0 |
nM |
Cmax in human at 75 mg, iv measured after 30 mins |
CHEMBL4823256 |
| ADMET |
Cmax |
< |
1000.0 |
nM |
Cmax in human at 75 mg, iv measured after 1 hr |
CHEMBL4823256 |
| ADMET |
CL |
= |
35.5 |
mL.min-1.kg-1 |
Clearance in African green monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Vdss |
= |
0.94 |
L.kg-1 |
Volume of distribution at steady state in African green monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
T1/2 |
= |
0.8 |
hr |
Terminal half life in African green monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Cmax |
= |
12600.0 |
nM |
Cmax in African green monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
AUC |
= |
4760.46 |
ng.hr.mL-1 |
AUCinfinity in African green monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
7.54 |
nmol/g |
Drug metabolism in african green monkey assessed as 1-NTP metabolite concentration in PBMC at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
32.2 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as 1-NTP metabolite concentration in PBMC at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
1.03 |
nmol/g |
Drug metabolism in african green monkey assessed as 1-NTP metabolite concentration in lung tissue at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
1.39 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as 1-NTP metabolite concentration in lung tissue at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
1.12 |
nmol/g |
Drug metabolism in african green monkey assessed as 1-NTP metabolite concentration in lower bronchi at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
0.19 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as 1-NTP metabolite concentration in lower bronchi at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
0.81 |
nmol/g |
Drug metabolism in african green monkey assessed as 1-NTP metabolite concentration in main stem bronchi at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
0.38 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as 1-NTP metabolite concentration in main stem bronchi at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
0.54 |
nmol/g |
Drug metabolism in african green monkey assessed as 1-NTP metabolite concentration in trachea at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
0.53 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as 1-NTP metabolite concentration in trachea at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
17.3 |
nmol/g |
Drug metabolism in african green monkey assessed as total metabolite concentration in liver at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
18.4 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as total metabolite concentration in liver at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
39.8 |
nmol/g |
Drug metabolism in african green monkey assessed as total metabolite concentration in kidney at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Drug metabolism |
= |
65.7 |
nmol/g |
Drug metabolism in cynomolgus monkey assessed as total metabolite concentration in kidney at 10 mg/kg, iv measured after 24 hrs by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
T1/2 |
= |
0.4 |
hr |
Terminal half life in cynomolgus monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
Cmax |
= |
22700.0 |
nM |
Cmax in cynomolgus monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| ADMET |
AUC |
= |
5302.79 |
ng.hr.mL-1 |
AUCinfinity in cynomolgus monkey at 10 mg/kg, iv after 30 mins by LC-MS/MS analysis |
CHEMBL4823256 |
| Human respiratory syncytial virus |
Activity |
> |
2.0 |
log10CFU |
Antiviral activity against RSV A2 infected in african green monkey assessed as reduction in BAL viral load at 10 mg/kg, iv administered 4 hrs prior to viral infection and daily upto 5 days post infection and measured every other day until day 15 by RT-qPCR analysis |
CHEMBL4823256 |
| Human respiratory syncytial virus |
Activity |
|
|
|
Antiviral activity against RSV A2 infected in african green monkey assessed as reduction in nasal viral load at 10 mg/kg, iv administered 4 hrs prior to viral infection and daily upto 5 days post infection and measured every other day until day 15 by RT-qPCR analysis |
CHEMBL4823256 |
| Human respiratory syncytial virus |
Activity |
> |
99.0 |
% |
Antiviral activity against RSV A2 infected in african green monkey assessed as reduction in viral replication in lung lavage samples at 10 mg/kg, iv administered 4 hrs prior to viral infection and daily upto 5 days post infection and measured every other day until day 15 by RT-qPCR analysis |
CHEMBL4823256 |
| SARS-CoV-2 |
EC50 |
= |
590.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in 16HBE14o- cells assessed as inhibition of viral replication after 1 day by Nano-Glo luciferase assay |
CHEMBL4823308 |
| SARS-CoV-2 |
EC50 |
= |
770.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as inhibition of viral replication measured after 48 hrs by qRT-PCR method |
CHEMBL4823308 |
| SARS-CoV-2 |
EC50 |
= |
2100.0 |
nM |
Antiviral activity against SARS-CoV-2 isolate USA-WA1/2020 infected in Vero E6 cells assessed as reduction in virus induced cytopathic effect incubated for 72 hrs by alamar blue assay |
CHEMBL4823308 |
| Vero C1008 |
CC50 |
= |
72000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells after 72 hrs by MTT assay |
CHEMBL4823308 |
| 16HBE14o- |
CC50 |
= |
41000.0 |
nM |
Cytotoxicity against human 16HBE14o- after 72 hrs by MTT assay |
CHEMBL4823308 |
| SARS-CoV-2 |
Inhibition |
= |
65.0 |
% |
Antiviral activity against SARS-CoV-2 nCoV-2019BetaCoV/Wuhan/WIV04/ infected in African green monkey Vero E6 cells assessed as inhibition of viral replication at 5 uM when host cells were pretreated for 1 hr followed by viral infection then followed by removal of infected supernatant and subsequent culture addition with fresh compounds and measured after 24 hrs by qRT-PCR method relative to control |
CHEMBL4823313 |
| SARS-CoV-2 |
EC50 |
= |
2000.0 |
nM |
Antiviral activity against SARS-CoV-2 nCoV-2019BetaCoV/Wuhan/WIV04/ infected in African green monkey Vero E6 cells assessed as inhibition of viral replication when host cells were pretreated for 1 hr followed by viral infection then followed by removal of infected supernatant and subsequent culture addition with fresh compounds and measured after 24 hrs by qRT-PCR method |
CHEMBL4823313 |
| Replicase polyprotein 1ab |
IC50 |
= |
1560.0 |
nM |
Inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected with Cov-Gluc by Gaussia luciferase reporter gene method |
CHEMBL4831483 |
| HEK-293T |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human HEK293T cells assessed as reduction in cell viability incubated for 24 hrs by CCK8 assay |
CHEMBL4831483 |
| Replicase polyprotein 1ab |
Inhibition |
|
|
% |
Inhibition of SARS-CoV-2 RdRp transfected in HEK293T cells cotransfected with CoV-Gluc assessed as decrease in plus and minus strand-Gluc RNA levels incubated for 24 hrs by qRT-PCR analysis |
CHEMBL4831483 |
| Replicase polyprotein 1ab |
IC50 |
= |
1190.0 |
nM |
Inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected nsp12 |
CHEMBL4831483 |
| Replicase polyprotein 1ab |
IC50 |
= |
3110.0 |
nM |
Inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected nsp12 along with nsp14 and nsp10 |
CHEMBL4831483 |
| Unchecked |
Ratio IC50 |
= |
2.61 |
|
Ratio of IC50 for inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected nsp12 along with nsp14/nsp10 to IC50 for inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected with nsp12 |
CHEMBL4831483 |
| Human coronavirus OC43 |
IC50 |
= |
700.0 |
nM |
Antiviral activity against HCoV-OC43 infected in HCT-8 cells assessed as reduction in viral replication treated 1 hr post infection and measured after 120 hrs post infection by MTS cell proliferation colorimetric assay |
CHEMBL4831483 |
| Unchecked |
IC50 |
= |
2870.0 |
nM |
Antiviral activity against HCoV-NL63 infected in LLC-MK2 cells assessed as reduction in viral replication treated 1 hr post infection and measured after 120 hrs post infection by MTS cell proliferation colorimetric assay |
CHEMBL4831483 |
| SARS-CoV-2 |
EC50 |
= |
1200.0 |
nM |
Antiviral activity against SARS-CoV-2 JPN/TY/WK-251 infected in Vero E6 cells after 72 hrs by RT-qPCR analysis |
CHEMBL4831532 |
| SARS-CoV-2 |
Activity |
= |
100.0 |
% |
Antiviral activity against SARS-CoV-2 JPN/TY/WK-251 infected in Vero E6 cells assessed as reduction in cytopathic effect at 1 to 100 uM after 72 hrs by RT-qPCR analysis |
CHEMBL4831532 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 JPN/TY/WK-251 infected in Vero E6 cells assessed as reduction in number of infected cells at 10 uM after 3 days by immunocytochemistry analysis |
CHEMBL4831532 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 JPN/TY/WK-251 infected in Vero E6 cells assessed as reduction in number of infected cells at 100 uM after 3 days by immunocytochemistry analysis |
CHEMBL4831532 |
| Influenza A virus |
IC50 |
|
|
|
Antiviral activity against Influenza A Puerto Rico/8/34/H1N1 infected in human A549 cells assessed as inhibition of viral replication after 24 hrs by hemagglutination assay |
CHEMBL4842338 |
| A549 |
CC50 |
|
|
|
Cytotoxicity against human A549 cells assessed as reduction in cell viability measured after 24 hrs by MTT assay |
CHEMBL4842338 |
| MDCK |
CC50 |
|
|
|
Cytotoxicity against MDCK cells assessed as reduction in cell viability measured after 24 hrs by MTT assay |
CHEMBL4842338 |
| Influenza A virus |
IC50 |
|
|
|
Antiviral activity against Influenza A Puerto Rico/8/34/H1N1 infected in MDCK cells assessed as inhibition of viral replication measured in supernatants of infected cells after 24 hrs by hemagglutination assay |
CHEMBL4842338 |
| Huh-7 |
CC50 |
= |
77000.0 |
nM |
Cytotoxicity against human Huh-7 cells infected with SARS-COV-2 assessed as reduction in cell viability by celltiter-glo luminescent cell viability assay |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
4.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Huh-7 cells assessed as inhibition of viral replication at MOI of 0.01 and incubated after 2 hrs post infection for 48 hrs by direct yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
19250.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells infected with SARS-COV-2 to IC50 for SARS-COV 2 infected in human Huh-7 |
CHEMBL4842338 |
| Vero C1008 |
CC50 |
= |
166000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells infected with SARS-COV-2 by celltiter-glo luminescent cell viability assay |
CHEMBL4842338 |
| Caco-2 |
CC50 |
= |
80000.0 |
nM |
Cytotoxicity against human Caco2 cells infected with SARS-COV-2 assessed as reduction in cell viability by celltiter-glo luminescent cell viability assay |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
10.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Caco-2 cells assessed as inhibition of viral replication at MOI of 0.01 and incubated after 2 hrs post infection for 48 hrs by immunodetection assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
8000.0 |
|
Selectivity index, ratio of CC50 for human Caco-2 cells infected with SARS-COV-2 to IC50 of SARS-COV 2 infected in human Caco-2 cells |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
6000.0 |
nM |
Antiviral activity against SARS-COV 2 infected in monkey Vero E6 cells assessed as inhibition of viral replication at MOI of 0.01 and incubated after 2 hrs post infection for 48 hrs by direct yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
28.0 |
|
Selectivity index, ratio of CC50 for African green monkey Vero E6 cells infected with SARS-COV-2 to IC50 for SARS-COV 2 infected in monkey Vero E6 cells |
CHEMBL4842338 |
| Calu-3 |
CC50 |
= |
97000.0 |
nM |
Cytotoxicity against human Calu-3 cells infected with SARS-COV-2 by celltiter-glo luminescent cell viability assay |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
110.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Calu-3 cells assessed as inhibition of viral replication at MOI of 0.01 and incubated after 2 hrs post infection for 48 hrs by direct yield reduction assay |
CHEMBL4842338 |
| ADMET |
Selectivity Index |
= |
882.0 |
|
Selectivity index, ratio of CC50 for human Calu-3 cells infected with SARS-COV-2 to IC50 for SARS-COV 2 infected in human Calu-3 cells |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
2.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Huh-7 cells |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
380.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Caco-2 cells |
CHEMBL4842338 |
| SARS-CoV-2 |
IC50 |
= |
26900.0 |
nM |
Antiviral activity against SARS-COV 2 infected in African green monkey Vero E6 cells |
CHEMBL4842338 |
| SARS-CoV-2 |
EC50 |
= |
800.0 |
nM |
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 infected in African green monkey Vero cells assessed as inhibition of viral replication measured after 48 hrs by RT-qPCR method |
CHEMBL4842391 |
| Unchecked |
Activity |
|
|
|
Toxicity in Hamster rat infected with SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 assessed as body weight loss at 25 mg/kg, inh measured after 4 days |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as widening of alveolar septum at 25 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as widening of bronchus at 25 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as widening of perivascular interstitium at 25 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as infiltration of lymphocytes at 25 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as infiltration of neutrophils at 25 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as widening of alveolar septum at 5 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as widening of bronchus at 5 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as widening of perivascular interstitium at 5 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as infiltration of lymphocytes at 5 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 C-Tan-nCoV Wuhan strain 01 virus infected in Hamster rat assessed as infiltration of neutrophils at 5 mg/kg, inh administered for 3 days starting from 1 hr post infection and measured on day 4 by histopathological analysis |
CHEMBL4842391 |
| ADMET |
Ratio CC50/IC50 |
> |
156.0 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Antiviral activity against Ebola virus trVLP infected in human Huh-7 cells |
CHEMBL5032526 |
| SARS-CoV-2 |
IC50 |
= |
850.0 |
nM |
Antiviral activity against SARS Cov-2 USA/WA1/2020 infected in Vero E6 cells assessed as reduction in virus-induced cytopathic effect preincubated for 1 hr followed by viral infection and measured after 48 hrs post infection |
CHEMBL5032526 |
| ADMET |
Ratio CC50/IC50 |
> |
588.0 |
|
Selectivity index, ratio of CC50 for African green monkey Vero E6 cells to IC50 for Antiviral activity against SARS coronavirus 2 USA/WA1/2020 infected in Vero E6 cells assessed as reduction in virus-induced cytopathic effect |
CHEMBL5032526 |
| Calu-3 |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against human Calu-3 cells assessed as reduction in cell viability after 48 hrs by Cell-Tox green based fluorescence assay |
CHEMBL5032526 |
| SARS-CoV-2 |
IC50 |
= |
60.0 |
nM |
Antiviral activity against SARS coronavirus 2 USA/WA1/2020 infected in Calu-3 cells assessed as reduction in virus-induced cytopathic effect preincubated for 1 hr followed by viral infection and measured after 48 hrs |
CHEMBL5032526 |
| ADMET |
Ratio CC50/IC50 |
> |
833.0 |
|
Selectivity index, ratio of CC50 for human Calu-3 cells to IC50 for Antiviral activity against SARS coronavirus 2 USA/WA1/2020 infected in human Calu3 cells assessed as reduction in virus-induced cytopathic effect |
CHEMBL5032526 |
| Huh-7 |
CC50 |
> |
50000.0 |
nM |
Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability measured after 24 hrs by CellTiter-Glo analysis |
CHEMBL5032526 |
| Ebolavirus |
IC50 |
= |
320.0 |
nM |
Antiviral activity against Ebola virus trVLP infected in human Huh-7 cells pretreated for 1 hrs followed by viral infection and measured after 24 hrs by dual luciferase reporter assay |
CHEMBL5032526 |
| Ebolavirus |
IC50 |
= |
24000.0 |
nM |
Antiviral activity against Ebola virus constitutively expressed firefly infected in human Huh-7 cells expressing pretreated for 1 hrs followed by viral infection and measured after 24 hrs by dual luciferase reporter assay |
CHEMBL5032526 |
| ADMET |
Ratio CC50/IC50 |
> |
2.08 |
|
Selectivity index, ratio of CC50 for human Huh-7 cells to IC50 for Antiviral activity against Ebola virus constitutively expressed firefly |
CHEMBL5032526 |
| Ebolavirus |
IC50 |
= |
1000.0 |
nM |
Antiviral activity against wild type Ebola virus infected in human HeLa cells assessed as reduction in viral infection measured after 24 hrs by Hoechst 33342 staining based microscopic analysis |
CHEMBL5032526 |
| ADMET |
Drug metabolism |
= |
22.2 |
% |
Drug metabolism in human plasma assessed as active triphosphate metabolite formation at 10 uM after 12 hrs by LC-QTOF-MS analysis |
CHEMBL5032526 |
| ADMET |
Drug metabolism |
= |
26.3 |
% |
Drug metabolism in human plasma assessed as active triphosphate metabolite formation at 10 uM after 24 hrs by LC-QTOF-MS analysis |
CHEMBL5032526 |
| ADMET |
Drug degradation |
= |
13.0 |
% |
Metabolic stability in human plasma assessed as drug degradation at 10 uM after 1 hr by LC-QTOF-MS analysis |
CHEMBL5032526 |
| ADMET |
Stability |
= |
47.0 |
% |
Metabolic stability in human plasma assessed as compound remaining at 10 uM after 2 hrs by LC-QTOF-MS analysis |
CHEMBL5032526 |
| Ebolavirus |
Activity |
|
|
|
Antiviral activity against Ebola virus trVLP assessed as reduction in RNA synthesis at 1 uM by qPCR analysis |
CHEMBL5032526 |
| SARS-CoV-2 |
EC50 |
= |
770.0 |
nM |
Antiviral activity against SARS-CoV-2 nCoV-2019 BetaCoV/Wuhan/WIV04/2019 infected in African green monkey VeroE6 cells incubated for 48 hrs by qRT-PCR method |
CHEMBL5032526 |
| ADMET |
Ratio CC50/EC50 |
> |
129.87 |
|
Selectivity index, ratio of CC50 for African green monkey Vero cells to EC50 for SARS-CoV-2 nCoV-2019 BetaCoV/Wuhan/WIV04/2019 infected in African green monkey VeroE6 cells |
CHEMBL5032526 |
| SARS-CoV-2 |
EC50 |
= |
280.0 |
nM |
Antiviral activity against SARS Cov-2 USA_WA1/2020 infected in human Calu-3 cells measured upto 72 hrs by qRT-PCR method |
CHEMBL5032526 |
| SARS-CoV-2 |
EC50 |
= |
10.0 |
nM |
Antiviral activity against SARS Cov-2 USA_WA1/2020 infected in HAE cells measured upto 72 hrs by qRT-PCR method |
CHEMBL5032526 |
| Vero C1008 |
CC50 |
= |
373000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells assessed as reduction of cell viability measured after 72 hrs by MTT assay |
CHEMBL5036342 |
| SARS-CoV-2 |
EC50 |
= |
150.0 |
nM |
Antiviral activity against SARS-CoV-2/NL/2020 infected in African green monkey Vero E6 cells assessed as inhibition of plaque formation measured after 3 days by Plaque reduction assay |
CHEMBL5036342 |
| ADMET |
Ratio CC50/EC50 |
= |
2487.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero E6 cells to EC50 for antiviral activity against SARS-COV2/NL/2020 infected in African green monkey Vero E6 cells |
CHEMBL5036342 |
| SARS-CoV-2 |
EC50 |
= |
250.0 |
nM |
Antiviral activity against SARS-COV2/Padova/2020 infected in African green monkey Vero E6 cells assessed as inhibition of plaque formation measured after 3 days by Plaque reduction assay |
CHEMBL5036342 |
| ADMET |
Ratio CC50/EC50 |
= |
1492.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero E6 cells to EC50 for antiviral activity against SARS-COV2/Padova/2020 infected in African green monkey Vero E6 cells |
CHEMBL5036342 |
| SARS-CoV-2 |
EC50 |
= |
870.0 |
nM |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 UC-1074 infected in African green monkey Vero cells assessed as reduction in plaque formation measured after 5 days by microscopic analysis |
CHEMBL5036345 |
| SARS-CoV-2 |
EC50 |
= |
610.0 |
nM |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 UC-1075 infected in African green monkey Vero cells assessed as reduction in plaque formation measured after 5 days by microscopic analysis |
CHEMBL5036345 |
| Vero |
MCC |
> |
40000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as effect on cell morphology by microscopic analysis |
CHEMBL5036345 |
| Vero |
CC50 |
> |
40000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability by coulter counter method |
CHEMBL5036345 |
| SARS-CoV-2 |
IC50 |
= |
2800.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as inhibition of viral replication incubated for 25 to 26 hrs by EliSpot reader based analysis |
CHEMBL5104177 |
| SARS-CoV-2 |
IC50 |
= |
86.4 |
nM |
Antiviral activity against SARS-CoV-2 infected in human A549-ACE2 cells assessed as effect on cell viability pretreated with compound for 1 hr followed by viral infection measured after 2 hrs by Nano-Glo reagent based LDH assay |
CHEMBL5108045 |
| SARS-CoV-2 |
IC50 |
= |
900.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in human 293TA cells assessed as reduction in cytopathic effect after 2 to 3 days by MTT assay |
CHEMBL5113539 |
| SARS-CoV-2 |
IC50 |
= |
900.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in African green monkey VeroE6T cells assessed as reduction in cytopathic effect after 2 to 3 days by MTT assay |
CHEMBL5113539 |
| Vero C1008 |
CC50 |
> |
200000.0 |
nM |
Cytotoxicity against African green monkey Vero E6 cells assessed as reduction in cell viability incubated for 72 hrs by CCK8 assay |
CHEMBL5131398 |
| SARS-CoV-2 |
EC50 |
= |
1210.0 |
nM |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect incubated for 72 hrs by CCK8 assay |
CHEMBL5131398 |
| ADMET |
Ratio CC50/EC50 |
> |
150.0 |
|
Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero E6 cells to EC50 for antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells |
CHEMBL5131398 |
| SARS-CoV-2 |
Activity |
= |
16.56 |
% |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect at 0.064 uM incubated for 72 hrs by CCK8 assay relative to control |
CHEMBL5131398 |
| SARS-CoV-2 |
Activity |
= |
22.28 |
% |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect at 0.32 uM incubated for 72 hrs by CCK8 assay relative to control |
CHEMBL5131398 |
| SARS-CoV-2 |
Activity |
= |
56.67 |
% |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect at 1.6 uM incubated for 72 hrs by CCK8 assay relative to control |
CHEMBL5131398 |
| SARS-CoV-2 |
Activity |
= |
103.72 |
% |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect at 8 uM incubated for 72 hrs by CCK8 assay relative to control |
CHEMBL5131398 |
| SARS-CoV-2 |
Activity |
= |
97.27 |
% |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect at 40 uM incubated for 72 hrs by CCK8 assay relative to control |
CHEMBL5131398 |
| SARS-CoV-2 |
Activity |
= |
81.89 |
% |
Antiviral activity against Severe acute respiratory syndrome coronavirus 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral cytopathic effect at 200 uM incubated for 72 hrs by CCK8 assay relative to control |
CHEMBL5131398 |
| Calu-3 |
Activity |
|
|
|
Cytotoxicity against human Calu-3 cells assessed as reduction in cell virion production at 10 uM incubated for 24 hrs by cell titer glo luminescent assay |
CHEMBL5131566 |
| Vero 76 |
Activity |
|
|
|
Cytotoxicity against African green monkey Vero 76 cells assessed as reduction in cell virion production at 10 uM incubated for 24 hrs by cell titer glo luminescent assay |
CHEMBL5131566 |
| SARS-CoV-2 |
EC50 |
= |
79.6 |
nM |
Antiviral activity against SARS-COV 2 infected in human Calu-3 cells assessed as inhibition of viral replication preincubated for 1 hr followed by viral infection and further incubated with compound for 24 hrs |
CHEMBL5131566 |
| SARS-CoV-2 |
EC50 |
= |
2.63 |
nM |
Antiviral activity against SARS-COV 2 infected in Vero 76 cells assessed as inhibition of viral replication preincubated for 1 hr followed by viral infection and further incubated with compound for 24 hrs |
CHEMBL5131566 |
| SARS-CoV-2 |
EC50 |
= |
10.0 |
nM |
Antiviral activity against SARS CoV-2 infected in HAE cells measured after 48 hrs by plaque assay |
CHEMBL5136972 |
| SARS-CoV |
EC50 |
= |
69.0 |
nM |
Antiviral activity against SARS CoV infected in HAE cells measured after 48 hrs by CellTiter-Glo assay |
CHEMBL5136972 |
| Middle East respiratory syndrome-related coronavirus |
EC50 |
= |
74.0 |
nM |
Antiviral activity against MARS CoV infected in HAE cells measured after 48 hrs by CellTiter-Glo assay |
CHEMBL5136972 |
| SARS-CoV-2 |
EC50 |
= |
1650.0 |
nM |
Antiviral activity against SARS CoV-2 infected in African green monkey Vero E6 cells measured after 48 hrs by plaque assay |
CHEMBL5136972 |
| SARS-CoV-2 |
EC50 |
= |
280.0 |
nM |
Antiviral activity against SARS CoV-2 infected in human Calu-3 cells measured after 48 hrs by plaque assay |
CHEMBL5136972 |
| SARS-CoV-2 |
EC50 |
= |
23150.0 |
nM |
Antiviral activity against SARS CoV-2 infected in African green monkey Vero E6 cells incubated for 2 hrs by CellTiter-Glo luminescent cell viability assay |
CHEMBL5136972 |
| SARS-CoV-2 |
EC50 |
= |
651.0 |
nM |
Antiviral activity against SARS CoV-2 infected in African green monkey Vero E6 cells assessed as inhibition of virus-induced cytopathic effect measured after 72 hrs by Reed-Muench method |
CHEMBL5136972 |
| SARS-CoV-2 |
EC50 |
= |
3.0 |
nM |
Antiviral activity against SARS CoV-2 infected in human Huh-7 cells measured up to 72 hrs by plaque assay |
CHEMBL5136972 |
| ADMET |
T1/2 |
= |
0.4167 |
hr |
Stability in Ces1c knockout C57BL/6J mouse model infected with MERS-CoV assessed as half life at 25 mg/kg, sc bid pre-infected with virus for 1 day followed by compound treatment measured up to 6 days |
CHEMBL5136972 |
| ADMET |
T1/2 |
< |
0.08333 |
hr |
Stability in wild type C57BL/6J mouse model infected with MERS-CoV assessed as half life at 25 mg/kg, sc bid pre-infected with virus for 1 day followed by compound treatment measured up to 6 days |
CHEMBL5136972 |
| SARS-CoV-2 |
Activity |
|
|
|
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as virus-induced cytopathic effect at 5 uM measured after 48 hrs by CCK-8 assay |
CHEMBL5143543 |
| SARS-CoV-2 |
EC50 |
= |
300.0 |
nM |
Antiviral activity against SARS-CoV-2 isolate USA-WA1/2020 infected in Calu-3 cells preincubated for 24 hrs followed by viral infection and measured after 48 hrs by Hoechst 33342 staining based microscopic method |
CHEMBL5143626 |
| Calu-3 |
CC50 |
> |
5000.0 |
nM |
Cytotoxicity against human Calu-3 cells assessed as reduction in cell viability |
CHEMBL5143626 |
| SARS-CoV-2 |
EC50 |
= |
93.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in human A549 cells overexpressing ACE2 and TMPRSS2 assessed as reduction in viral growth incubated for 48 hrs by DAPI staining based immunofluorescence assay |
CHEMBL5143750 |
| A549 |
CC50 |
= |
43000.0 |
nM |
Cytotoxicity against human A549 cells overexpressing ACE2 and TMPRSS2 incubated for 48 hrs by MTS assay |
CHEMBL5143750 |
| Unchecked |
IC50 |
= |
1400.0 |
nM |
Inhibition of DENV RNA-dependent RNA polymerase activity |
CHEMBL5150000 |
| NS5 |
IC50 |
= |
1360.0 |
nM |
Inhibition of Zika virus RNA-dependent RNA polymerase activity |
CHEMBL5150000 |
| SARS-CoV-2 |
EC50 |
= |
2270.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells preincubated for 1 hr followed by methylcellulose addition and measured after 25 to 26 hrs by EliSpot reader based analysis |
CHEMBL5150072 |
| Vero C1008 |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against african green monkey Vero E6 cells assessed as reduction in cell viability after 26 hrs by MTS assay |
CHEMBL5150072 |
| SARS-CoV-2 |
IC50 |
= |
650.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Calu-3 cells assessed as inhibition of viral replication after 48 hrs by qRT-PCR analysis |
CHEMBL5154633 |
| SARS-CoV-2 |
IC50 |
= |
1350.0 |
nM |
Antiviral activity against SARS-COV 2 infected in African green monkey Vero E6 cells assessed as inhibition of viral replication after 48 hrs by qRT-PCR analysis |
CHEMBL5154633 |
| SARS-CoV-2 |
IC50 |
= |
580.0 |
nM |
Antiviral activity against SARS-COV 2 infected in human Caco-2 cells assessed as inhibition of viral replication after 48 hrs by qRT-PCR analysis |
CHEMBL5154633 |
| ADMET |
AUC |
= |
1590.0 |
ng.hr.mL-1 |
AUC in human plasma at 3 to 225 mg, iv administered as 2 hr infusion |
CHEMBL5154633 |
| ADMET |
T1/2 |
< |
1.0 |
hr |
Half life in human plasma at 3 to 225 mg, iv administered as 2 hr infusion |
CHEMBL5154633 |
| Unchecked |
EC50 |
= |
20.0 |
nM |
Antiviral activity against Human coronavirus OC43 infected in human Huh-7 cells assessed as reduction in virus-induced cytopathic effect incubated for 7 days by Celltiter-Glo assay |
CHEMBL5154637 |
| MRC5 |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-glo luminescent cell viability assay |
CHEMBL5154637 |
| Huh-7 |
CC50 |
= |
10370.0 |
nM |
Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-glo luminescent cell viability assay |
CHEMBL5154637 |
| Human coronavirus 229E |
EC50 |
= |
35.0 |
nM |
Antiviral activity against Human coronavirus 229E infected in human MRC5 cells assessed as reduction in virus-induced cytopathic effect incubated for 3 days by Celltiter-Glo assay |
CHEMBL5154637 |
| ADMET |
Ratio CC50/EC50 |
= |
518.5 |
|
Selectivity index, ratio of CC50 for cytotoxicity against human Huh-7 cells to EC50 for antiviral activity against Human coronavirus 229E infected in human MRC5 cells |
CHEMBL5154637 |
| SARS-CoV |
EC90 |
= |
1.76 |
uM |
Antiviral activity against SARS 2019-nCoV infected in African green monkey Vero E6 cells assessed as inhibition of viral infection preincubated and measured after 48 hrs by qRT-PCR analysis |
CHEMBL5214899 |
| Unchecked |
Activity |
= |
92.45 |
% |
Antiviral activity against HCoV-OC43 infected in human HCT-8 cells assessed as inhibition of viral growth at 10 uM incubated for 4 days by ELISA analysis relative to control |
CHEMBL5215003 |
| HCT-8 |
Activity |
= |
96.21 |
% |
Cytotoxicity against human HCT-8 cells assessed as redcution in cell viability at 10 uM incubated for 96 hrs by PrestoBlue reagent based assay relative to control |
CHEMBL5215003 |
| Unchecked |
IC50 |
= |
320.0 |
nM |
Antiviral activity against HCoV-OC43 infected in human HCT-8 cells assessed as inhibition of viral growth incubated for 4 days by ELISA analysis |
CHEMBL5215003 |
| HCT-8 |
CC50 |
= |
53180.0 |
nM |
Cytotoxicity against human HCT-8 cells assessed as redcution in cell viability incubated for 96 hrs by PrestoBlue reagent based assay |
CHEMBL5215003 |
| ADMET |
Ratio CC50/IC50 |
= |
166.19 |
|
Selectivity index, ratio of CC50 for cytotoxicity against human HCT-8 cells to IC50 for antiviral activity against HCoV-OC43 infected in human HCT-8 cells |
CHEMBL5215003 |
| SARS-CoV-2 |
IC50 |
= |
22530.0 |
nM |
Antiviral activity against SARS-CoV-2 infected in African green monkey Vero cells assessed as inhibition of viral growth incubated for 2 days by ELISA analysis |
CHEMBL5215003 |
| Vero |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability incubated for 48 hrs by PrestoBlue reagent based assay |
CHEMBL5215003 |
| ADMET |
Ratio CC50/IC50 |
> |
4.44 |
|
Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero cells to IC50 for antiviral activity against SARS-CoV-2 infected in African green monkey Vero cells |
CHEMBL5215003 |
| Calu-3 |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human Calu-3 cells assessed as reduction in cell viability incubated for 48 hrs by PrestoBlue reagent based assay |
CHEMBL5215003 |
| MRC5 |
CC50 |
> |
100000.0 |
nM |
Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 48 hrs by PrestoBlue reagent based assay |
CHEMBL5215003 |
| HepG2 |
CC50 |
= |
52620.0 |
nM |
Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by PrestoBlue reagent based assay |
CHEMBL5215003 |
