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Compound Detail

CHEMBL134430

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COC(=O)c1cc(C(=O)OC)cc(-c2cc(=O)c3cc(C)ccc3o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134430
Phase Preclinical
Structure Type MOL
InChI Key WPXPNPSSIAWITC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
3.34
ALogP
6
HBA
0
HBD
82.8
PSA (Ų)
0.67
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 C20H16O6
MW 352.34
Aromatic Rings 3
Heavy Atoms 26
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