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Compound Detail

CHEMBL1814292

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COc1ccc(-c2cc(CC(O)CO)ccc2O)cc1CC(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814292
Phase Preclinical
Structure Type MOL
InChI Key LOZQPRNAFFRXNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
0.86
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24O6
MW 348.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
21699169 10.1021/jm200186n GABA-A receptor; GABA-A site (alpha1/beta2 interface) 3
21699169 10.1021/jm200186n No relevant target 1

Data from ChEMBL 36 via Core Engine