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Compound Detail

CHEMBL184410

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OCc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184410
Phase Preclinical
Structure Type MOL
InChI Key VEDDBHYQWFOITD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

187.0
MW (Da)
1.94
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H7BrO
MW 187.04
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
15267244 10.1021/jm049872s No relevant target 1
15267244 10.1021/jm049872s Polyunsaturated fatty acid lipoxygenase ALOX12 1
15267244 10.1021/jm049872s Polyunsaturated fatty acid lipoxygenase ALOX15 1
15267244 10.1021/jm049872s Unchecked 1

Data from ChEMBL 36 via Core Engine