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Compound Detail

CHEMBL186007

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Basic Information

ChEMBL ID CHEMBL186007
Phase Preclinical
Structure Type MOL
InChI Key VADKRMSMGWJZCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

173.0
MW (Da)
2.15
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H5BrO
MW 173.01
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
16279782 10.1021/jm050567w L1210 2
24499135 10.1021/jm401808n Staphylococcus aureus 2
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
15857133 10.1021/jm048980b No relevant target 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
24499135 10.1021/jm401808n Quinolone resistance protein NorA 1

Data from ChEMBL 36 via Core Engine