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Compound Detail

CHEMBL187292

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CCOc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187292
Phase Preclinical
Structure Type MOL
InChI Key WVUYYXUATWMVIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

201.1
MW (Da)
2.85
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.71
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 C8H9BrO
MW 201.06
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.18

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