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Compound Detail

CHEMBL228087

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CC(=O)c1cc(F)c(Cl)cc1OCC(=O)Nc1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228087
Phase Preclinical
Structure Type MOL
InChI Key YWLFCMTZUKEPJV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.7
MW (Da)
3.40
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClFNO5
MW 365.74
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 230.0 nM 6.64 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