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Compound Detail

CHEMBL134626

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Cc1ccc2oc(-c3cccc(C(=O)O)c3)cc(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134626
Phase Preclinical
Structure Type MOL
InChI Key WPYYWOJMKYFZFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.47
ALogP
3
HBA
1
HBD
67.5
PSA (Ų)
0.78
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 C17H12O4
MW 280.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
12213060 10.1021/jm020839k GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine