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Compound Detail

CHEMBL1940775

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COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1940775
Phase Preclinical
Structure Type MOL
InChI Key GPPYVEJHTZOVEE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.65
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO5
MW 313.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.86

Activity Summary

EC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 60.0 nM 7.22 Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... 22059983

Literature References

PubMed DOI Target Context # Activities
22059983 10.1021/jm201264t Hepatitis C virus 2
22059983 10.1021/jm201264t Unchecked 1
22059983 10.1021/jm201264t ADMET 1

Data from ChEMBL 36 via Core Engine