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Compound Detail

CHEMBL4077782

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Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@]2(F)Cl)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4077782
Phase Preclinical
Structure Type MOL
InChI Key AMHCSVGAGPURHS-AEHJODJJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

319.7
MW (Da)
-1.14
ALogP
8
HBA
4
HBD
139.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11ClFN5O4
MW 319.68
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.79

Activity Summary

EC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 19000.0 nM 4.72 Antiviral activity against HCV genotype 1b harboring wild type NS5B infected in ... 28595015

Literature References

PubMed DOI Target Context # Activities
28595015 10.1021/acs.jmedchem.7b00067 Hepatitis C virus 2
28595015 10.1021/acs.jmedchem.7b00067 Huh-7 1
28595015 10.1021/acs.jmedchem.7b00067 PBMC 1
28595015 10.1021/acs.jmedchem.7b00067 CCRF-CEM 1
28595015 10.1021/acs.jmedchem.7b00067 Vero 1

Data from ChEMBL 36 via Core Engine