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Compound Detail

CHEMBL1940766

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CC(=O)Oc1c(C)cccc1C(=O)Nc1ncc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1940766
Phase Preclinical
Structure Type MOL
InChI Key KGBAMMWIEHYQGE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.8
MW (Da)
3.28
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11ClN2O3S
MW 310.76
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.34

Activity Summary

EC50 2 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 6.23 6.115 590.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 590.0 nM 6.23 Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... 22059983
Hepatitis C virus EC50 = 1000.0 nM 6.0 Antiviral activity against HCV genotype 1a infected in Huh7.5 cells assessed as ... 22059983

Literature References

PubMed DOI Target Context # Activities
22059983 10.1021/jm201264t Hepatitis C virus 4
22059983 10.1021/jm201264t Unchecked 2
22059983 10.1021/jm201264t ADMET 2

Data from ChEMBL 36 via Core Engine