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Compound Detail

CHEMBL3930888

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O=C(O)c1cccc(OCc2ccc(Cl)cc2)c1N1Cc2c(O)cccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3930888
Phase Preclinical
Structure Type MOL
InChI Key XUSILGKFDCTULW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.8
MW (Da)
4.48
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.65
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 C22H16ClNO5
MW 409.83
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6600.0 nM 5.18 Inhibition of wild-type HCV genotype 1b Con1 C-terminal truncated NS5B RNA depen... 27908764

Literature References

PubMed DOI Target Context # Activities
27908764 10.1016/j.bmcl.2016.11.054 Unchecked 1

Data from ChEMBL 36 via Core Engine