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Compound Detail

CHEMBL1928116

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O=C1Cc2cc(-c3cccc(-c4ccccc4)c3)ccc2C(=O)N1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1928116
Phase Preclinical
Structure Type MOL
InChI Key JHAVIQIVACPQBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.93
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15NO3
MW 329.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
22100256 10.1016/j.bmc.2011.10.058 Huh-7 2
22100256 10.1016/j.bmc.2011.10.058 Hepatitis C virus 2
22100256 10.1016/j.bmc.2011.10.058 ADMET 1

Data from ChEMBL 36 via Core Engine