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Compound Detail

CHEMBL319073

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O=C(N(O)c1ccccc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319073
Phase Preclinical
Structure Type MOL
InChI Key NQUCPZLKPQFTEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

205.1
MW (Da)
1.97
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.56
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 C8H6F3NO2
MW 205.14
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
9667978 10.1021/jm980200+ Aldehyde dehydrogenase 1A1 1

Data from ChEMBL 36 via Core Engine