Compound Info
NAs Base Info
ID Cluster Name Target MolWt
Compound Structure
NAs.003820 0
Target name Tax id
Replicase polyprotein 1ab
Deoxycytidine kinase
Cytidine deaminase
Hepatitis C virus NS5B RNA-dependent RNA polymerase
Uridine-cytidine kinase 1
259.237
Chemical Representations
InChI InChI=1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1
InChI Key NYPIRLYMDJMKGW-VPCXQMTMSA-N
SMILES C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
Molecular Formula C10H14FN3O4
Functional Fragments
Base Ribose Phosphate
Base Structure
Match
 No Image Available
Match
Calculated Properties
logP -1.196 Computed by RDKit
Heavy Atom Count 18 Computed by RDKit
Ring Count 2 Computed by RDKit
Hydrogen Bond Acceptor Count 7 Computed by RDKit
Hydrogen Bond Donor Count 3 Computed by RDKit
Rotatable Bond Count 2 Computed by RDKit
Topological Polar Surface Area 110.600 Computed by RDKit
Activity Data
Target Activity type Relation Value Unit Assay Source
NON-PROTEIN TARGET EC90 > 100.0 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 = 5.4 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
Deoxycytidine kinase Km = 81200.0 nM Activity of human dCK expressed in HepG2 cells assessed as phosphorylation by coupled enzyme assay CHEMBL1142170
Deoxycytidine kinase Kcat/Km = 0.00019 /uM/s Ratio of Kcat to Km for human dCK expressed in HepG2 cells CHEMBL1142170
Uridine-cytidine kinase 1 Activity Activity of human UCK1 expressed in Huh7 cells assessed as phosphorylation up to 3 mM by coupled enzyme assay CHEMBL1142170
Uridine-cytidine kinase 1 Activity Ratio of Kcat to Km for UCK1 activity expressed in Huh7 cells up to 3 mM CHEMBL1142170
Deoxycytidine kinase Kcat = 0.016 /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 = 600.0 nM Antiviral activity against HCV 1b Con1 in 2209-23 cells after 72 hrs by luciferase based replicon assay CHEMBL1156500
Hepatitis C virus IC50 Inhibition of RNA synthesis activity of HSV 1b Con1 NS5B polymerase CHEMBL1156500
Hepatitis C virus IC50 Inhibition of RNA synthesis activity of HSV 1b Con1 replicase CHEMBL1156500
Hepatitis C virus Ki Inhibition of RNA synthesis activity of HSV 1b Con1 NS5B polymerase CHEMBL1156500
Hepatitis C virus Km Inhibition of RNA synthesis activity of HSV 1b Con1 NS5B polymerase CHEMBL1156500
Hepatocyte Drug uptake = 30.4 pmol Drug uptake in human hepatocyte at 2 uM after 1 hr assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 32.9 pmol Drug uptake in human hepatocyte at 2 uM after 6 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 34.4 pmol Drug uptake in human hepatocyte at 2 uM after 16 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 36.4 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 31.9 pmol Drug uptake in human hepatocyte at 2 uM after 48 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 34.6 pmol Drug uptake in human hepatocyte at 2 uM after 72 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 847.9 pmol Drug uptake in human hepatocyte at 50 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 439.1 pmol Drug uptake in human hepatocyte at 25 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 165.5 pmol Drug uptake in human hepatocyte at 10 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 34.5 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 1529.9 pmol Drug uptake in human hepatocyte at 100 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 3591.3 pmol Drug uptake in human hepatocyte at 250 uM after 24 hrs assessed per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 71.2 pmol Drug uptake in human hepatocyte at 100 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 34.9 pmol Drug uptake in human hepatocyte at 50 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 21.7 pmol Drug uptake in human hepatocyte at 25 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 9.6 pmol Drug uptake in human hepatocyte at 10 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 2.4 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 34.7 pmol Drug uptake in human hepatocyte at 100 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 20.3 pmol Drug uptake in human hepatocyte at 50 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 9.5 pmol Drug uptake in human hepatocyte at 25 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 4.8 pmol Drug uptake in human hepatocyte at 10 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 0.9 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 0.3 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 2.4 pmol Drug uptake in human hepatocyte at 10 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 3.4 pmol Drug uptake in human hepatocyte at 25 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 8.2 pmol Drug uptake in human hepatocyte at 50 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 13.4 pmol Drug uptake in human hepatocyte at 100 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 34.3 pmol Drug uptake in human hepatocyte at 100 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 18.7 pmol Drug uptake in human hepatocyte at 50 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 11.3 pmol Drug uptake in human hepatocyte at 25 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 5.6 pmol Drug uptake in human hepatocyte at 10 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 84.0 pmol Drug uptake in human hepatocyte at 250 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 1.4 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 0.3 pmol Drug uptake in human hepatocyte at 2 uM after 6 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrine-2,4(1H,3H)-trione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 0.6 pmol Drug uptake in human hepatocyte at 2 uM after 16 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrine-2,4(1H,3H)-trione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 1.3 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrine-2,4(1H,3H)-trione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 2.0 pmol Drug uptake in human hepatocyte at 2 uM after 48 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrine-2,4(1H,3H)-trione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 2.0 pmol Drug uptake in human hepatocyte at 2 uM after 72 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrine-2,4(1H,3H)-trione tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 40.4 pmol Drug uptake in human hepatocyte at 250 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 19.6 pmol Drug uptake in human hepatocyte at 250 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 40.9 pmol Drug uptake in human hepatocyte at 250 uM after 24 hrs assessed as 1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione di phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 0.6 pmol Drug uptake in human hepatocyte at 2 uM after 6 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 0.7 pmol Drug uptake in human hepatocyte at 2 uM after 16 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 1.1 pmol Drug uptake in human hepatocyte at 2 uM after 24 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 1.3 pmol Drug uptake in human hepatocyte at 2 uM after 48 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Hepatocyte Drug uptake = 1.0 pmol Drug uptake in human hepatocyte at 2 uM after 72 hrs assessed as 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimitrin-2(1H)-one tri phosphate level per 10'6 cells CHEMBL1156500
Rhesus monkey CL = 10.0 mL.min-1.kg-1 Clearance in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Serum Drug uptake = 0.8 uM Drug level in rhesus monkey serum at 33.3 mg/kg, po administered as single dose CHEMBL1155775
ADMET Stability = 6.0 % Stability in rhesus monkey urine at 33.3 mg/kg assessed as unchanged drug dose administered as single dose during 8 hrs CHEMBL1155775
ADMET Stability = 3.9 % Stability in rhesus monkey urine at 33.3 mg/kg assessed as 2'-deoxy-2'-fluoro-2'-C-methyluridine level administered as single dose during 8 hrs CHEMBL1155775
Hepatitis C virus EC90 = 5.4 uM Antiviral activity against HCV in human Huh7 cells by replicon based assay CHEMBL1155775
HepG2 Activity > 100.0 uM Cytotoxicity against human HepG2 cells CHEMBL1155775
Rhesus monkey T1/2 = 4.54 hr Terminal half life in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey T1/2 = 5.64 hr Terminal half life in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey Tmax = 0.25 hr Tmax in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey Tmax = 2.0 hr Tmax in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey Cmax = 154200.0 nM Cmax in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey Cmax = 9640.0 nM Cmax in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey AUC = 60973.25 ng.hr.mL-1 AUC in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey AUC = 11432.48 ng.hr.mL-1 AUC in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey Vd/F = 4.8 L.kg-1 Apparent volume of distribution with respect to bioavailability in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey Vd/F = 21.9 L.kg-1 Apparent volume of distribution with respect to bioavailability in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey CL/F = 10.0 mL.min-1.kg-1 Apparent oral clearance in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey CL/F = 48.0 mL.min-1.kg-1 Apparent oral clearance in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey MRT = 2.5 hr Mean residence time in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey MRT = 7.11 hr Mean residence time in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey Vdss = 1.51 L.kg-1 Volume of distribution at steady state in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
ADMET Drug uptake = 3.67 uM Drug level in rhesus monkey cerebrospinal fluid at 33.3 mg/kg, iv administered as single dose after 1 hr CHEMBL1155775
ADMET Drug uptake = 0.28 uM Drug level in rhesus monkey cerebrospinal fluid at 33.3 mg/kg, po administered as single dose after 1 hr CHEMBL1155775
ADMET Drug uptake = 1.38 uM Drug level in rhesus monkey cerebrospinal fluid assessed as 2'-deoxy-2'-fluoro-2'-C-methyluridine level at 33.3 mg/kg, iv administered as single dose after 1 hr CHEMBL1155775
ADMET Drug uptake = 0.0 uM Drug level in rhesus monkey cerebrospinal fluid 2'-deoxy-2'-fluoro-2'-C-methyluridine level at 33.3 mg/kg, po administered as single dose after 1 hr CHEMBL1155775
Rhesus monkey MAT = 4.61 hr Mean absorption time in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey F = 24.0 % Oral bioavailability in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey F = 63.9 % Oral bioavailability in rhesus monkey assessed as parent drug plus 2'-deoxy-2'-fluoro-2'-C-methyluridine level at 33.3 mg/kg, po administered as single dose CHEMBL1155775
Rhesus monkey AUC = 586.0 microM.hr'2 AUMC in rhesus monkey at 33.3 mg/kg, iv administered as single dose CHEMBL1155775
Rhesus monkey AUC = 464.0 microM.hr'2 AUMC in rhesus monkey at 33.3 mg/kg, po administered as single dose CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in human whole blood at 1000 dpm/pmol after 0.25 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in human whole blood at 1000 dpm/pmol after 0.5 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in human whole blood at 1000 dpm/pmol after 1 hr at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in human whole blood at 1000 dpm/pmol after 2 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in human whole blood at 1000 dpm/pmol after 4 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in human whole blood at 1000 dpm/pmol after 8 hrs at 37 degC CHEMBL1155775
ADMET Stability = 99.1 % Metabolic stability in human whole blood at 1000 dpm/pmol after 10 hrs at 37 degC CHEMBL1155775
ADMET Stability = 95.1 % Metabolic stability in human whole blood at 1000 dpm/pmol after 24 hrs at 37 degC CHEMBL1155775
ADMET Stability = 83.7 % Metabolic stability in human whole blood at 1000 dpm/pmol after 48 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 0.25 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 0.5 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 1 hr at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 2 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 4 hrs at 37 degC CHEMBL1155775
ADMET Stability = 100.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 8 hrs at 37 degC CHEMBL1155775
ADMET Stability = 97.2 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 10 hrs at 37 degC CHEMBL1155775
ADMET Stability = 93.1 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 24 hrs at 37 degC CHEMBL1155775
ADMET Stability = 80.0 % Metabolic stability in rhesus monkey whole blood at 1000 dpm/pmol after 48 hrs at 37 degC CHEMBL1155775
Cytidine deaminase Kcat = 0.26 /s Activity of cloned cytidine deaminase in human HuH7 cells at 4 mM by spectrophotometric analysis CHEMBL1152990
Cytidine deaminase Km = 4000000.0 nM Activity of cloned cytidine deaminase in human HuH7 cells at 4 mM by spectrophotometric analysis CHEMBL1152990
Cytidine deaminase Kcat/Km = 6.500000000000001e-05 /uM/s Ratio of Kcat to Km for cloned cytidine deaminase in human HuH7 cells by spectrophotometric analysis CHEMBL1152990
Hepatitis C virus EC90 = 4.9 uM Antiviral activity against wild type HCV infected in human HuH7 cells assessed as inhibition of viral RNA replication after 4 days by replicon assay in absence of DCTD inhibitor zedularine CHEMBL1152990
Hepatitis C virus EC90 = 23.8 uM Antiviral activity against HCV harboring NS5B polymerase S282T mutation infected in human HuH7 cells assessed as inhibition of viral RNA replication after 4 days by replicon assay in absence of DCTD inhibitor zedularine CHEMBL1152990
Hepatitis C virus EC90 = 2.1 uM Antiviral activity against wild type HCV infected in human HuH7 cells assessed as inhibition of viral RNA replication after 4 days by replicon assay in presence of 100 uM DCTD inhibitor zedularine CHEMBL1152990
Hepatitis C virus EC90 = 8.9 uM Antiviral activity against HCV harboring NS5B polymerase S282T mutation infected in human HuH7 cells assessed as inhibition of viral RNA replication after 4 days by replicon assay in presence of 100 uM DCTD inhibitor zedularine CHEMBL1152990
Hepatitis C virus Ratio = 2.3 Ratio of EC90 for wild type HCV in viral replicon RNA-containing human HuH7 cells in absence of zedularine to EC90 wild type HCV in viral replicon RNA-containing human HuH7 cells in presence of zedularine CHEMBL1152990
Deoxycytidine kinase Kcat/Km = 1.9 10'-4/uM/s Ratio of Kcat to Km for cloned 2'-deoxycytidine kinase in human HepG2 cells assessed as formation of formation of PS-6130 monophosphate by spectrophotometry CHEMBL1152990
Hepatocyte T1/2 = 4.7 hr Metabolic stability in human hepatocytes assessed as RO2433 triphosphate half life at 2 uM CHEMBL1152990
Hepatitis C virus EC90 = 4.6 uM Antiviral activity against HCV 1a infected in human HB-1 cells assessed as inhibition of viral RNA replication after 24 hrs CHEMBL1208712
ADMET CC50 > 50000.0 nM Cytotoxicity against human HuH7 cells by MTS assay CHEMBL1208712
Deoxycytidine kinase Kcat = 0.016 /s Activity at human recombinant deoxycytidine kinase expressed in HepG2 cells CHEMBL1208712
Deoxycytidine kinase Km = 81200.0 nM Activity at human recombinant deoxycytidine kinase expressed in HepG2 cells CHEMBL1208712
Deoxycytidine kinase Kcat/Km = 1.9 10'-4/uM/s Ratio of Kcat/Km for human recombinant deoxycytidine kinase CHEMBL1208712
Hepatitis C virus EC50 = 610.0 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 = 1900.0 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
Hepatocyte T1/2 = 4.7 hr Half life in human hepatocytes CHEMBL1629705
Hepatitis C virus EC50 = 75.0 nM Antiviral activity against Hepatitis C virus Con1 infected in human lunet cells assessed as inhibition of viral RNA replication after 4 days by luciferase reporter gene assay CHEMBL1629705
Hepatitis C virus EC90 = 0.45 uM Antiviral activity against Hepatitis C virus isolate Con1 infected in human HuH-7 cells assessed as inhibition of viral RNA replication after 4 days by luciferase reporter gene assay CHEMBL1629705
Hepatitis C virus EC90 = 0.52 uM Antiviral activity against Hepatitis C virus Con1 infected in human lunet cells assessed as inhibition of viral RNA replication after 4 days by luciferase reporter gene assay CHEMBL1629705
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 = 1900.0 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 NS5B RNA-dependent RNA polymerase IC50 = 56700.0 nM Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive assay in presence of [alpha32p]UTP CHEMBL3120143
Unchecked IC50 = 8410.0 nM Inhibition of HCV genotype 1b wild type recombinant NS5B RNA dependent RNA polymerase using IRES RNA as substrate after 30 mins by radioactive assay in presence of [alpha32p]UTP CHEMBL3120143
NON-PROTEIN TARGET EC50 = 2300.0 nM Antiviral activity against HCV genotype 1b infected in human HuH7 cells by replicon based assay CHEMBL3396979
NON-PROTEIN TARGET EC50 = 600.0 nM Antiviral activity against HCV genotype 1a infected in human HuH7 cells by replicon based assay CHEMBL3396979
Unchecked Ki = 60.0 nM Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase assessed as reduction in triphosphate activity CHEMBL3396979
NON-PROTEIN TARGET EC50 = 4500.0 nM Antiviral activity against HCV infected in human Huh7 cells assessed as reduction in viral RNA replication after 4 days CHEMBL3867487
SARS-CoV-2 Inhibition = -5.44 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging CHEMBL4303101
Replicase polyprotein 1ab Inhibition = 5.13 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate CHEMBL4495564
SARS-CoV-2 Inhibition = 0.19 % 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 = 0.19 % 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 = 3200.0 nM Antiviral activity against human Norovirus CHEMBL4680252