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Compound Detail

CHEMBL227715

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O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227715
Phase Preclinical
Structure Type MOL
InChI Key AUJIDMFVYFPUIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.2
MW (Da)
3.71
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11Cl2NO4
MW 340.16
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 450.0 nM 6.35 Inhibition of HCV 1b BK NS5B delta21 RNA polymerase expressed in Escherichia col... 17402724

Literature References

PubMed DOI Target Context # Activities
17402724 10.1021/jm061428x Hepatitis C virus 2
17402724 10.1021/jm061428x ADMET 1

Data from ChEMBL 36 via Core Engine