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Compound Detail

CHEMBL209897

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Oc1nc2ccc(C(F)(F)F)cc2c(O)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209897
Phase Preclinical
Structure Type MOL
InChI Key BYUZXMRGVGBBPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
4.33
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.70
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 C16H10F3NO2
MW 305.25
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
16784844 10.1016/j.bmcl.2006.06.014 Fatty acid synthase 2

Data from ChEMBL 36 via Core Engine