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Compound Detail

CHEMBL111507

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Oc1c(Br)cccc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111507
Phase Preclinical
Structure Type MOL
InChI Key SSIZLKDLDKIHEV-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

251.9
MW (Da)
2.92
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.75
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 C6H4Br2O
MW 251.91
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness 0.15

Activity Summary

EC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
12109905 10.1021/jm010461a GABA-A receptor; alpha-1/beta-2/gamma-2 2
12109905 10.1021/jm010461a Xenopus laevis 1
12109905 10.1021/jm010461a No relevant target 1
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