Compound Info
NAs Base Info
ID Cluster Name Target MolWt
Compound Structure
NAs.003892 0
Target name Tax id
Replicase polyprotein 1ab 11070.0
Deoxycytidine kinase 11070.0
Cytidine deaminase 11070.0
Heat shock factor protein 1 11070.0
Hepatitis C virus NS5B RNA-dependent RNA polymerase 11070.0
Uridine-cytidine kinase 1 11070.0
257.246
Chemical Representations
InChI InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1
InChI Key PPUDLEUZKVJXSZ-VPCXQMTMSA-N
SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
Molecular Formula C10H15N3O5
Functional Fragments
Base Ribose Phosphate
Base Structure
Match
No Image Available
Match
Calculated Properties
logP -2.173 Computed by RDKit
Heavy Atom Count 18 Computed by RDKit
Ring Count 2 Computed by RDKit
Hydrogen Bond Acceptor Count 8 Computed by RDKit
Hydrogen Bond Donor Count 4 Computed by RDKit
Rotatable Bond Count 2 Computed by RDKit
Topological Polar Surface Area 130.830 Computed by RDKit
Activity Data
Target Activity type Relation Value Unit Assay Source
L1210 IC50 = 12.0 ug.mL-1 Concentration required for 50% inhibition of cell growth of L1210 leukemic cell lines in mouse. CHEMBL1125887
NON-PROTEIN TARGET EC90 = 2.3 uM Effective concentration required to reduce cytopathic effects caused by bovine viral diarrhea virus (BVDV) in MDBK cells by 90% CHEMBL1141159
NON-PROTEIN TARGET CC50 > 100000.0 nM Cytotoxic concentration against bovine viral diarrhea virus (BVDV) in MDBK cells CHEMBL1141159
Huh-7 EC90 = 19.0 uM Effective concentration required to reduce HCV replication RNA levels in Huh7 cells by 90% determined by HCV replicon assay CHEMBL1141159
Huh-7 CC50 > 100000.0 nM Cytotoxic concentration against HCV replication RNA levels in Huh7 cells determined by HCV replicon assay CHEMBL1141159
Rattus norvegicus Cmax = 23790.09 nM Cmax in jugular vein cannulated Sprague-Dawley rat at 100 mg/kg, po administered as prodrug CHEMBL1137330
Rattus norvegicus T1/2 = 7.1 hr Terminal half life in jugular vein cannulated Sprague-Dawley rat at 100 mg/kg, po administered as prodrug CHEMBL1137330
Rattus norvegicus Tmax = 2.0 hr Tmax in jugular vein cannulated Sprague-Dawley rat at 100 mg/kg, po administered as prodrug CHEMBL1137330
Rattus norvegicus AUC = 30000.0 ng.hr.mL-1 AUC(0-t) in jugular vein cannulated Sprague-Dawley rat at 100 mg/kg, po administered as prodrug CHEMBL1137330
Rattus norvegicus F = 33.6 % Apparent oral bioavailability in jugular vein cannulated Sprague-Dawley rat at 100 mg/kg, po administered as prodrug CHEMBL1137330
No relevant target Solubility = 32000.0 ug.mL-1 Aqueous solubility of the compound CHEMBL1137330
No relevant target LogP = -0.965 Distribution coefficient, log P of the compound CHEMBL1137330
Plasma PPB = 5.0 % Protein binding in rat plasma at 20 uM CHEMBL1137330
Rattus norvegicus Cmax = 293877.55 nM Cmax in Sprague-Dawley rat after 15 days at 60 mg/kg/day, iv CHEMBL1137330
Rattus norvegicus AUC = 74400.0 ng.hr.mL-1 AUC in Sprague-Dawley rat after 15 days at 60 mg/kg/day, iv CHEMBL1137330
No relevant target Stability % Chemical stability at pH 1.2 CHEMBL1137330
No relevant target Stability % Chemical stability at pH 4.5 CHEMBL1137330
No relevant target Stability % Chemical stability at pH 7.2 CHEMBL1137330
Deoxycytidine kinase Km = 914000.0 nM Activity of human dCK expressed in HepG2 cells assessed as phosphorylation by coupled enzyme assay CHEMBL1142170
Deoxycytidine kinase Kcat/Km = 1.2e-05 /uM/s Ratio of Kcat to Km for human dCK expressed in HepG2 cells CHEMBL1142170
Deoxycytidine kinase Kcat = 0.011 /s Activity of human dCK expressed in HepG2 cells assessed as phosphorylation by coupled enzyme assay CHEMBL1142170
Uridine-cytidine kinase 1 Activity Activity of human UCK1 expressed in Huh7 cells assessed as phosphorylation by coupled enzyme assay CHEMBL1142170
Uridine-cytidine kinase 1 Activity Ratio of Kcat to Km for UCK1 activity expressed in Huh7 cells CHEMBL1142170
Hepatitis C virus IC50 = 1230.0 nM Antiviral activity against HCV 1b replicon in human 2209-23 cells CHEMBL1139169
ADMET CC50 > 33000.0 nM Cytotoxicity against human 2209-23 cells CHEMBL1139169
ADMET CT50 > 100.0 uM Cytostatic activity against human 2209-23 cells CHEMBL1139169
Hepatitis C virus EC50 = 3500.0 nM Antiviral activity against HCV in human Huh7 cells assessed as reduction of viral level after 5 days by RNA subgenomic replicon assay CHEMBL1139357
Hepatitis C virus EC90 = 11.0 uM Antiviral activity against HCV in human Huh7 cells assessed as reduction of viral level after 5 days by RNA subgenomic replicon assay CHEMBL1139357
ADMET CC50 > 50000.0 nM Cytotoxicity against human Huh7 cells assessed as rRNA level after 5 days CHEMBL1139357
Unchecked Activity = 2.0 uM Inhibition of HCV NS5B polymerase by cell-based assay CHEMBL1153533
Cytidine deaminase Kcat = 0.18 /s Activity of cloned cytidine deaminase in human HuH7 cells at 4 mM by spectrophotometric analysis CHEMBL1152990
Cytidine deaminase Km = 3100000.0 nM Activity of cloned cytidine deaminase in human HuH7 cells at 4 mM by spectrophotometric analysis CHEMBL1152990
Cytidine deaminase Kcat/Km = 5.8e-05 /uM/s Ratio of Kcat to Km for cloned cytidine deaminase in human HuH7 cells by spectrophotometric analysis CHEMBL1152990
Hepatitis C virus EC50 = 1230.0 nM Antiviral activity against Hepatitis C virus subtype 1b Con1 infected in human HuH7 cells after 3 days by luciferase reporter gene assay CHEMBL1255315
ADMET CC50 > 100000.0 nM Cytotoxicity against human HuH7 cells CHEMBL1255315
Hepatitis C virus EC50 = 2000.0 nM Antiviral activity against HCV genotype 1b in RP7 replicon cell after 4 days by blot hybridization analysis CHEMBL1275532
Hepatitis C virus EC50 = 1900.0 nM Antiviral activity against HCV genotype 1b in NTZ-11 replicon cell after 4 days by blot hybridization analysis CHEMBL1275532
Hepatitis C virus EC50 = 2200.0 nM Antiviral activity against HCV genotype 1b in TIZ-9 replicon cell after 4 days by blot hybridization analysis CHEMBL1275532
Hepatitis C virus EC90 = 9.0 uM Antiviral activity against HCV genotype 1b in RP7 replicon cell after 4 days by blot hybridization analysis CHEMBL1275532
Hepatitis C virus EC90 = 6.1 uM Antiviral activity against HCV genotype 1b in NTZ-11 replicon cell after 4 days by blot hybridization analysis CHEMBL1275532
Hepatitis C virus EC90 = 8.9 uM Antiviral activity against HCV genotype 1b in TIZ-9 replicon cell after 4 days by blot hybridization analysis CHEMBL1275532
ADMET CC50 > 300000.0 nM Cytotoxicity against human RP7 cell harboring HCV genotype 1b after 4 days by neutral red dye uptake assay CHEMBL1275532
ADMET CC50 > 300000.0 nM Cytotoxicity against human NTZ-11 cell harboring HCV genotype 1b after 4 days by neutral red dye uptake assay CHEMBL1275532
ADMET CC50 > 300000.0 nM Cytotoxicity against human TIZ-9 cell harboring HCV genotype 1b after 4 days by neutral red dye uptake assay CHEMBL1275532
Unchecked Ratio CC50/EC50 > 150.0 Selectivity Index, ratio of CC50 for RP7 cell harboring HCV genotype 1b to EC50 for HCV genotype 1b in RP7 replicon cell CHEMBL1275532
Unchecked Ratio CC50/EC50 > 158.0 Selectivity Index, ratio of CC50 for NTZ-11 cell harboring HCV genotype 1b to EC50 for HCV genotype 1b in NTZ-11 replicon cell CHEMBL1275532
Unchecked Ratio CC50/EC50 > 136.0 Selectivity Index, ratio of CC50 for TIZ-9 cell harboring HCV genotype 1b to EC50 for HCV genotype 1b in TIZ-9 replicon cell CHEMBL1275532
Hepatitis C virus Activity = 10.0 % Antiviral activity against HCV genotype 1b obtained from RP7 cells infected in Huh7.5 cell assessed as viral-induced colony formation efficiency at 10 uM after 10 to 14 days in presence of 125 ug/ml G418 CHEMBL1275532
Hepatitis C virus Activity = 13.0 % Antiviral activity against HCV genotype 1b obtained from NTZ-11 cells infected in Huh7.5 cell assessed as viral-induced colony formation efficiency at 10 uM after 10 to 14 days in presence of 125 ug/ml G418 CHEMBL1275532
Hepatitis C virus Activity = 9.0 % Antiviral activity against HCV genotype 1b obtained from TIZ-9 cells infected in Huh7.5 cell assessed as viral-induced colony formation efficiency at 10 uM after 10 to 14 days in presence of 125 ug/ml G418 CHEMBL1275532
Hepatitis C virus EC50 = 4600.0 nM Antiviral activity against Hepatitis C virus subtype 1b with adaptive mutations of E1202G, T1280I, K1846T in NS5B polymerase infected in human HuH7 cells assessed as inhibition of viral replication after 3 days by luciferase assay CHEMBL1275401
ADMET CC50 > 98400.0 nM Cytotoxicity against human HuH7 cells expressing CMV-Luc after 3 days by luciferase assay CHEMBL1275401
MT4 CC50 > 98400.0 nM Cytotoxicity against human MT4 cells expressing LTR-Luc after 3 days by luciferase assay CHEMBL1275401
Hepatitis C virus EC50 = 1300.0 nM Antiviral activity against Hepatitis C virus isolate Con1 infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 1100.0 nM Antiviral activity against Hepatitis C virus genotype 1a H77 infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 1000.0 nM Antiviral activity against Hepatitis C virus genotype 2a JFH1 infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 480.0 nM Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 2b in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 230.0 nM Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 3a infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 2500.0 nM Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 4a infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 620.0 nM Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 5a infected in human Huh7.5 cells assessed as decrease in viral RNA replication after 3 days by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 1.0 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus genotype 1a H77 in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 1.0 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus genotype 2a JFH1 in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 0.4 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 2b in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 0.2 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 3a in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 2.0 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 4a in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 0.5 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 transfected with NS5B polymerase of HCV genotype 5a in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 1.0 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 with NS5B polymerase L419I mutant in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 1.0 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 with NS5B polymerase I482L mutant in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus FC = 1.0 Ratio of EC50 for wild-type Hepatitis C virus isolate Con1 to EC50 for Hepatitis C virus isolate Con1 with NS5B polymerase L419I and I482L mutant in human Huh7.5 cells by hRLuc reporter gene assay CHEMBL1629557
Hepatitis C virus EC50 = 110.0 nM Antiviral activity against compound-resistant HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 210.0 nM Antiviral activity against cyclosporine-resistant HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 30150.0 nM Antiviral activity against 2'-C-methyl-2'-fluoro-cytidine-resistant HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 1160.0 nM Antiviral activity against R479-resistant HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 40.0 nM Antiviral activity against BILN 2061-resistant HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 1010.0 nM Antiviral activity against VX 950-resistant HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 410.0 nM Antiviral activity against HCV genotype 1b infected in human Huh-9-13 cells assessed as reduction in viral replication after 3 days by quantitative RT-PCR CHEMBL1649126
Hepatitis C virus EC50 = 700.0 nM Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-Mono cells assessed as reduction in replicon RNA after 4 days by RT-qPCR analysis CHEMBL1671625
Hepatitis C virus EC50 = 700.0 nM Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH6 cells assessed as reduction in replicon RNA after 4days by RT-qPCR analysis CHEMBL1671625
Hepatitis C virus EC50 = 400.0 nM Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-9-13 cells assessed as reduction in replicon RNA after 4days by RT-qPCR analysis CHEMBL1671625
Hepatitis C virus EC50 = 2000.0 nM Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh5-2 cells assessed as reduction in replicon RNA after 4 days by luciferase assay CHEMBL1671625
ADMET CC50 > 33000.0 nM Cytotoxicity against human Huh-Mono cells after 3 days by MTT assay CHEMBL1671625
ADMET CC50 > 33000.0 nM Cytotoxicity against human HuH6 cells after 3 days by MTT assay CHEMBL1671625
ADMET CC50 = 25000.0 nM Cytotoxicity against human Huh-9-13 cells after 3 days by MTT assay CHEMBL1671625
ADMET CC50 > 33000.0 nM Cytotoxicity against human Huh5-2 cells after 3 days by MTT assay CHEMBL1671625
Hepatitis C virus EC50 = 1143.0 nM Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days by qRT-PCR analysis CHEMBL1687718
Hepatitis C virus EC50 = 1623.0 nM Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days selected with 40 nM HCV-796 and 800 nM boceprevir by qRT-PCR analysis CHEMBL1687718
Hepatitis C virus Ratio IC50 = 1.0 Antiviral activity against Hepatitis C virus genotype 1b Con1 infected in human HuH7 cells assessed as GAPDH RNA or 18S rRNA level after 3 days selected with 40 nM HCV-796 and 800 nM boceprevir by qRT-PCR analysis relative to control CHEMBL1687718
Hepatitis C virus EC50 = 1700.0 nM Antiviral activity against HCV1a infected in human HuH7 cells expressing E2 glycoprotein assessed as inhibition of viral RNA replication after 5 days CHEMBL1795274
Hepatitis C virus EC90 = 8.2 uM Antiviral activity against HCV1a infected in human HuH7 cells expressing E2 glycoprotein assessed as inhibition of viral RNA replication after 5 days CHEMBL1795274
Huh-7 CC50 > 300000.0 nM Cytotoxicity against human HuH7 cells expressing E2 glycoprotein assessed as reduction of rRNA level after 5 days CHEMBL1795274
Unchecked Ratio CC50/EC50 > 272.0 Selectivity index, ratio of CC50 for human HuH7 cells to EC50 for HCV 1a CHEMBL1795274
Hepatitis C virus EC50 = 2400.0 nM Antiviral activity against HCV2a JFH1 infected in human Huh7 cells assessed as inhibition of viral replication after 72 hrs by luciferase reporter gene assay CHEMBL1828535
Huh-7 CC50 > 33000.0 nM Cytotoxicity against human HuH7 cells after 72 hrs CHEMBL1828535
Human immunodeficiency virus 1 Inhibition % Antiviral activity against HIV1 harboring reverse transcriptase E138K mutant infected in human CEM cells assessed as inhibition of virus-induced cytopathicity after 4 days CHEMBL1828535
BHK-21 CC50 > 100000.0 nM Cytotoxicity against BHK21 cells after 48 to 96 hrs by MTT assay CHEMBL1938334
Reovirus sp. EC50 = 16000.0 nM Antiviral activity against Reovirus type-1 3651 infected in hamster BHK21 cells assessed as inhibition of virus-induced cytopathogenicity after 3 to 4 days by MTT assay CHEMBL1938334
Hepatitis C virus EC50 = 2800.0 nM Antiviral activity against Hepatitis C virus infected in human HuH7 cells assessed as decrease in viral RNA level after 96 hrs by RT-PCR CHEMBL1949592
Hepatitis C virus EC90 = 9.6 uM Antiviral activity against Hepatitis C virus infected in human HuH7 cells assessed as decrease in viral RNA level after 96 hrs by RT-PCR CHEMBL1949592
Huh-7 CC50 > 10000.0 nM Cytotoxicity against human HuH7 cells assessed as reduction of 50% rRNA level after 96 hrs CHEMBL1949592
Human immunodeficiency virus 1 EC50 = 47500.0 nM Antiviral activity against HIV1 LAV1 infected in PHA-stimulated human PBMC assessed as reduction in RT activity after 6 days by micromethod-based beta scintillation counting CHEMBL1949592
Human immunodeficiency virus 1 EC90 = 100.0 uM Antiviral activity against HIV1 LAV1 infected in PHA-stimulated human PBMC assessed as reduction in RT activity after 6 days by micromethod-based beta scintillation counting CHEMBL1949592
PBMC IC50 = 47400.0 nM Cytotoxicity against human PBMC after 6 days by trypan blue exclusion method CHEMBL1949592
CCRF-CEM IC50 = 54400.0 nM Cytotoxicity against human CEM cells after 6 days by trypan blue exclusion method CHEMBL1949592
Vero IC50 > 100000.0 nM Cytotoxicity against african green monkey Vero cells after 3 days by hemocytometer analysis CHEMBL1949592
Human coxsackievirus B3 EC50 = 94000.0 nM Antiviral activity against Coxsackievirus B3 infected in african green monkey Vero cells assessed as inhibition virus-induced cell death by MTS assay CHEMBL2010699
Human coxsackievirus B3 EC90 = 179.0 uM Antiviral activity against Coxsackievirus B3 infected in african green monkey Vero cells assessed as inhibition virus-induced cell death by MTS assay CHEMBL2010699
Vero CC50 Cytotoxicity against african green monkey Vero cells assessed as inhibition of host metabolism by MTS assay CHEMBL2010699
Unchecked Ratio CC50/EC50 Selectivity index, ratio of CC50 for african green monkey Vero cells to EC50 for Coxsackievirus B3 CHEMBL2010699
Hepatitis C virus EC50 = 4070.0 nM Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as cytoprotection after 24 hrs CHEMBL2029282
Huh-7 CC50 > 89000.0 nM Cytotoxicity against human HuH7 cells after 24 hrs by MTS assay CHEMBL2029282
Hepatitis C virus IC50 = 730.0 nM Inhibition of HCV genotype 1b NS5B after 90 mins CHEMBL2029282
BHK-21 CC50 > 100000.0 nM Cytotoxicity against BHK21 cells by MTT assay CHEMBL2034874
Mammalian orthoreovirus 1 EC50 = 16000.0 nM Antiviral activity against Reovirus 1 3651 ATCC VR-214 infected in BHK21 cells assessed as inhibition of virus-induced cytopathogenicity after 3 to 4 days by MTT assay CHEMBL2034874
Huh-7 CC50 > 98000.0 nM Cytotoxicity against human HuH7 cells assessed as inhibition of cell proliferation after 3 days by BrdU incorporation assay CHEMBL3120160
Hepatitis C virus EC50 = 4600.0 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 = 1600.0 nM Antiviral activity against Hepatitis C virus assessed as inhibition of viral infection by RNA replicon assay CHEMBL3120115
NON-PROTEIN TARGET EC50 > 100000.0 nM Antiviral activity against Yellow fever virus 17D Stamaril Pasteur J07B01 infected in BHK21 cells assessed as protection from virus-induced cytopathogenicity after 3 to 4 days by MTT method CHEMBL3352401
NON-PROTEIN TARGET EC50 = 16000.0 nM Antiviral activity against Simian virus 12 3651 (ATCC VR- 214) infected in BHK21 cells assessed as protection from virus-induced cytopathogenicity after 3 to 4 days by MTT method CHEMBL3352401
NON-PROTEIN TARGET EC50 = 2500.0 nM Antiviral activity against HCV1a assessed as inhibition of viral replication by cell based 384 well format assay CHEMBL3352022
NON-PROTEIN TARGET EC50 = 2800.0 nM Antiviral activity against HCV1b assessed as inhibition of viral replication by cell based 384 well format assay CHEMBL3352022
Unchecked IC50 = 1670.0 nM Inhibition of HCV1b NS5B polymerase CHEMBL3352022
NON-PROTEIN TARGET EC50 = 2800.0 nM Antiviral activity against HCV genotype 1b infected in human HuH7 cells by replicon based assay CHEMBL3396979
NON-PROTEIN TARGET EC50 = 2500.0 nM Antiviral activity against HCV genotype 1a infected in human HuH7 cells by replicon based assay CHEMBL3396979
Unchecked IC50 = 1700.0 nM Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase assessed as reduction in triphosphate activity CHEMBL3396979
ADMET CC50 > 100000.0 nM Cytotoxicity against hamster BHK21 cells assessed as cell viability after 72 hrs by MTT method CHEMBL3421576
NON-PROTEIN TARGET EC50 = 6000.0 nM Antiviral activity against Reovirus 1 infected in hamster BHK21 cells assessed as protection against viral-induced cytopathogenecity after 3 to 4 days by MTT method CHEMBL3421576
ADMET CC50 > 10000.0 nM Cytotoxicity against BHK cells assessed as cell viability after 48 to 96 hrs by MTT assay CHEMBL3616436
NON-PROTEIN TARGET EC50 = 16000.0 nM Antiviral activity against Reovirus type-1 ATCC VR-214 infected in BHK cells assessed as protection against virus-induced cytopathogenicity after 3 to 4 days by MTT assay CHEMBL3616436
ADMET CC50 > 100000.0 nM Cytotoxicity against African green monkey Vero 76 cells assessed as cell viability after 48 to 96 hrs by crystal violet staining CHEMBL3616436
Human coxsackievirus B5 EC50 = 18000.0 nM Antiviral activity against Human coxsackievirus B5 ATCC VR-29 infected in African green monkey Vero 76 cells assessed as reduction of virus-plaque formation after 3 days by crystal violet staining CHEMBL3616436
Human poliovirus 1 EC50 = 7300.0 nM Antiviral activity against Poliovirus type 1 ATCC VR-1562 infected in African green monkey Vero 76 cells assessed as reduction of virus-plaque formation after 2 days by crystal violet staining CHEMBL3616436
NON-PROTEIN TARGET EC50 > 100000.0 nM Antiviral activity against Reovirus 1 ATCC VR- 214 infected in BHK21 cells assessed as protection against virus-induced cytopathic effect after 3 or 4 days by MTT assay CHEMBL3734708
ADMET CC50 = 16000.0 nM Cytotoxicity against african green monkey Vero 76 cells assessed as reduction in cell viability after 48 to 96 hrs by MTT assay CHEMBL3734708
NON-PROTEIN TARGET EC50 = 18000.0 nM Antiviral activity against Norovirus infected in HG23 cells assessed as decrease in viral RNA level by qRT-PCR analysis CHEMBL3745643
ADMET CC50 = 94750.0 nM Cytotoxicity against human HuH7 cells assessed as reduction in cell viability after 72 hrs by MTS assay CHEMBL3792388
Unchecked Ratio CC50/EC50 > 8.5 Selectivity index, ratio of CC50 for human HuH7 cells to EC50 for Dengue virus 2 DN454009A infected in human HuH7 cells CHEMBL3792388
Dengue virus 2 EC50 = 11200.0 nM Antiviral activity against Dengue virus 2 DN454009A infected in human HuH7 cells assessed as inhibition of viral RNA level measured 72 hrs post infection by qRT-PCR method CHEMBL3792388
ADMET CC50 > 100000.0 nM Cytotoxicity against mock-infected BHK21 cells assessed as reduction in cell viability after 72 hrs by MTT assay CHEMBL3808296
NON-PROTEIN TARGET EC50 Antiviral activity against Yellow fever virus 17D infected in BHK21 cells assessed as inhibition of virus induced cytopathogenicity after 3 to 4 days by MTT assay CHEMBL3808296
NON-PROTEIN TARGET EC50 = 16000.0 nM Antiviral activity against Reovirus type-1 3651 infected in BHK21 cells assessed as inhibition of virus induced cytopathogenicity after 3 to 4 days by MTT assay CHEMBL3808296
ADMET CC50 Cytotoxicity against mock-infected african green monkey Vero 76 cells assessed as reduction in cell viability after 48 to 96 hrs by MTT assay CHEMBL3808296
Human coxsackievirus B2 EC50 Antiviral activity against CVB-2 infected in Vero 76 cells after 3 days by crystal violet staining based plaque reduction assay CHEMBL3808296
Human poliovirus 1 strain Sabin EC50 Antiviral activity against Human poliovirus 1 strain Sabin infected in Vero 76 cells after 2 days by crystal violet staining based plaque reduction assay CHEMBL3808296
Respiratory syncytial virus EC50 Antiviral activity against Respiratory syncytial virus A2 infected in Vero 76 cells after 5 days by crystal violet staining based plaque reduction assay CHEMBL3808296
Vesicular stomatitis virus EC50 Antiviral activity against Vesicular stomatitis virus Indiana infected in Vero 76 cells after 2 days by crystal violet staining based plaque reduction assay CHEMBL3808296
Vaccinia virus EC50 Antiviral activity against Vaccinia virus Elstree infected in Vero 76 cells after 3 days by crystal violet staining based plaque reduction assay CHEMBL3808296
Unchecked EC50 = 1700.0 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 = 6.5 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
Heat shock factor protein 1 Activity Activation of HSF-1 in human HG23 cells transfected with human norovirus after 72 hrs by dual-luciferase reporter gene assay CHEMBL4311988
Unchecked Activity = 78.5 % Cytotoxicity against human HG23 cells assessed as cell viability at 10 uM after 3 days by tetrazolium dye based assay relative to control CHEMBL4311988
Unchecked CC50 = 12200.0 nM Cytotoxicity against human HG23 cells assessed as reduction in cell viability after 3 days by tetrazolium dye based assay CHEMBL4311988
Norovirus EC50 = 4000.0 nM Antiviral activity against human norovirus infected in human HG23 cells assessed as inhibition of viral replication after 3 days by qRT-PCR analysis CHEMBL4311988
ADMET Ratio CC50/EC50 = 3.1 Therapeutic index, ratio of CC50 for cytotoxicity against human HG23 cells harboring human norovirus replicons to EC50 for antiviral activity against norovirus infected in human HG23 cells CHEMBL4311988
Norovirus EC50 = 4800.0 nM Antiviral activity against human norovirus infected in HG23 cells assessed as inhibition of neomycin phosphotransferase protein expression after 3 days by Western blot analysis CHEMBL4311988
Norovirus Activity = 24.8 % Antiviral activity against human norovirus infected in human HG23 cells assessed as inhibition of viral replication at 10 uM after 3 days by qRT-PCR analysis relative to control CHEMBL4311988
Hepatitis C virus NS5B RNA-dependent RNA polymerase EC50 = 2800.0 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 = 9.9 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 = 60000.0 nM Cytotoxicity against human PBMC assessed reduction in cell viability after 5 days by MTT assay CHEMBL4411318
CCRF-CEM CC50 = 22000.0 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
Replicase polyprotein 1ab Inhibition = 14.92 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate CHEMBL4495564
SARS-CoV-2 Inhibition = -0.08 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4495565
SARS-CoV-2 Inhibition = -0.08 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4495565
Unchecked EC50 = 8200.0 nM Antiviral activity against human Norovirus CHEMBL4680252
Unchecked EC50 = 2000.0 nM Antiviral activity against murine Norovirus infected in mouse RAW264.7 cells assessed as reduction in virus-induced cytopathic effect incubated for 3 days by MTS assay CHEMBL4680252
Unchecked EC50 = 30.0 nM Antiviral activity against human Norovirus infected in BJAB cells assessed as reduction in viral replication incubated for 3 days by qRT-PCR analysi CHEMBL4680252
Norovirus EC50 = 6400.0 nM Antiviral activity against Norovirus infected in human HG23 cells CHEMBL4814022
Unchecked CC50 > 300000.0 nM Cytotoxicity against human HG23 cells CHEMBL4814022
ADMET Ratio CC50/EC50 = 47.0 Selectivity index, ratio of EC50 for antiviral activity against Norovirus infected in human HG23 cells by visible analysis to CC50 for human HG23 cells CHEMBL4814022
ADMET Activity = 60.0 % Toxicity in rat assessed as animal survival at 15 to 30 mg/kg, iv measured for 7 days CHEMBL5150000
Unchecked IC50 = 11200.0 nM Inhibition of DENV RNA polymerase CHEMBL5150000
Unchecked IC50 = 19300.0 nM Inhibition of DENV RNA-dependent RNA polymerase activity CHEMBL5150000
Dengue virus 1 EC50 = 2900.0 nM Antiviral activity against DENV-1 RNA-dependent RNA polymerase infected in African green monkey Vero cells assessed as reduction in viral replication incubated for 2 days by qRT-PCR analysis CHEMBL5150000
Dengue virus 2 EC50 = 2800.0 nM Antiviral activity against DENV-2 RNA-dependent RNA polymerase infected in African green monkey Vero cells assessed as reduction in viral replication incubated for 2 days by qRT-PCR analysis CHEMBL5150000
Dengue virus 3 EC50 = 2400.0 nM Antiviral activity against DENV-3 RNA-dependent RNA polymerase infected in African green monkey Vero cells assessed as reduction in viral replication incubated for 2 days by qRT-PCR analysis CHEMBL5150000
Dengue virus type 4 EC50 = 2600.0 nM Antiviral activity against DENV-4 RNA-dependent RNA polymerase infected in African green monkey Vero cells assessed as reduction in viral replication incubated for 2 days by qRT-PCR analysis CHEMBL5150000