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Compound Detail

CHEMBL133668

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COc1cc(CO)cc(-c2cc(=O)c3cc(C)ccc3o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133668
Phase Preclinical
Structure Type MOL
InChI Key RKZWHDVPLCTCRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.27
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O4
MW 296.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.44

Literature References

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

Data from ChEMBL 36 via Core Engine