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Compound Detail

CHEMBL1814302

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C=CCc1ccc(OCCCCC)c(-c2ccc(O)c(CC=C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814302
Phase Preclinical
Structure Type MOL
InChI Key ZYXPZNUJASUZOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
6.09
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28O2
MW 336.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.50

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