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Compound Detail

CHEMBL519657

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Oc1noc2c(F)c(C(F)(F)F)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519657
Phase Preclinical
Structure Type MOL
InChI Key UDYDKBSWNCRPTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.1
MW (Da)
2.69
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H3F4NO2
MW 221.11
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
18507366 10.1021/jm800200u D-amino-acid oxidase 1

Data from ChEMBL 36 via Core Engine