compound 8a [PMID: 24900283]

Ligand id: 8503

Name: compound 8a [PMID: 24900283]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 70.68
Molecular weight 489.17
XLogP 8.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Database Links
ChEMBL Ligand CHEMBL2164575
GtoPdb PubChem SID 252166711
PubChem CID 56840673
Search Google for chemical match using the InChIKey OAIVSBLLDFJYMS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OAIVSBLLDFJYMS
Search UniChem for chemical match using the InChIKey OAIVSBLLDFJYMS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OAIVSBLLDFJYMS
Comments
Compound 8a is reported as a non-peptide agonist of the BB3 receptor [1].