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Compound Detail

CHEMBL134315

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COc1ccc(Br)cc1-c1cc(=O)c2cc(C)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134315
Phase Preclinical
Structure Type MOL
InChI Key WPHQRIUPXOBUSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
4.54
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.68
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 C17H13BrO3
MW 345.19
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
12213060 10.1021/jm020839k GABA-A receptor; anion channel 1
18851913 10.1016/j.bmcl.2008.09.092 Unchecked 1

Data from ChEMBL 36 via Core Engine