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Compound Detail

CHEMBL3613265

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COc1ccc(NC(=O)/C=C/c2ccccc2C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613265
Phase Preclinical
Structure Type MOL
InChI Key XKJULWUDYXKPHJ-IZZDOVSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
4.37
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3NO2
MW 321.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
31301564 10.1016/j.ejmech.2019.07.020 HBZY-1 2
26337020 10.1016/j.bmc.2015.08.012 Amine oxidase [flavin-containing] A 1
26337020 10.1016/j.bmc.2015.08.012 Amine oxidase [flavin-containing] B 1
26337020 10.1016/j.bmc.2015.08.012 Unchecked 1

Data from ChEMBL 36 via Core Engine