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Compound Detail

CHEMBL3982375

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O=C(O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3982375
Phase Preclinical
Structure Type MOL
InChI Key MWTDILJXFCREEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.8
MW (Da)
4.87
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.64
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 C21H16ClNO4
MW 381.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.08 5.08 8300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8300.0 nM 5.08 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