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Compound Detail

CHEMBL299048

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Cc1cc(/C=C/c2ccccc2C(F)(F)F)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299048
Phase Preclinical
Structure Type MOL
InChI Key RABHBNBDWDQZMN-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
5.20
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F3O
MW 292.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
2113949 10.1021/jm00169a010 Polyunsaturated fatty acid 5-lipoxygenase 3
2113949 10.1021/jm00169a010 Cyclooxygenase 3

Data from ChEMBL 36 via Core Engine