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Compound Detail

CHEMBL4573414

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CCOP(=O)(Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O)C1CC=C(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4573414
Phase Preclinical
Structure Type MOL
InChI Key KQBBBCILIBVGEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
6.91
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClNO4PS
MW 439.90
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Genome polyprotein
CHEMBL3638332
 IC50 5.95 5.95 1126.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Genome polyprotein IC50 = 1126.0 nM 5.95 Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase 27520942

Literature References

PubMed DOI Target Context # Activities
27520942 10.1016/j.bmcl.2016.01.042 Hepatitis C virus 1
27520942 10.1016/j.bmcl.2016.01.042 Genome polyprotein 1

Data from ChEMBL 36 via Core Engine