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Compound Detail

CHEMBL1814311

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C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N(CC)CC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814311
Phase Preclinical
Structure Type MOL
InChI Key CGLDEJWECRQQQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
5.37
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO2
MW 351.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.20

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