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Compound Detail

CHEMBL1814304

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

Basic Information

ChEMBL ID CHEMBL1814304
Phase Preclinical
Structure Type MOL
InChI Key GLCRBBLELTVRAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
7.95
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38O2
MW 406.61
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.14

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