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Compound Detail

CHEMBL1928113

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O=C1Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C(=O)N1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1928113
Phase Preclinical
Structure Type MOL
InChI Key BKSKXZSEXYDELD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
3.29
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F3NO3
MW 321.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.42

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