Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL312596

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
c1ccc(COc2cccc3[nH]c4c5c6ccccc6nc-5c[nH]c4c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312596
Phase Preclinical
Structure Type MOL
InChI Key MRELIRRRQGVAQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
5.88
ALogP
2
HBA
2
HBD
53.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17N3O
MW 363.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
2167978 10.1021/jm00171a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine