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Compound Detail

CHEMBL3617323

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O=C(O)c1cncc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617323
Phase Preclinical
Structure Type MOL
InChI Key RKFDCELCLIZRRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.1
MW (Da)
1.80
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.74
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 C7H4F3NO2
MW 191.11
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine