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Compound Detail

CHEMBL56460

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Cc1cc(/C=C/c2ccccc2Br)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56460
Phase Preclinical
Structure Type MOL
InChI Key MCMMZYHBLBVLFX-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
4.94
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15BrO
MW 303.20
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.10

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