compound 22e [PMID: 20167483]

Ligand id: 8504

Name: compound 22e [PMID: 20167483]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 65.98
Molecular weight 376.22
XLogP 9.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
Database Links
BindingDB Ligand 50313751
ChEMBL Ligand CHEMBL1089721
PubChem CID 46845425
Search Google for chemical match using the InChIKey AXHVEQQLKVIZLO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AXHVEQQLKVIZLO
Search UniChem for chemical match using the InChIKey AXHVEQQLKVIZLO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AXHVEQQLKVIZLO
Comments
Compound 22e is reported as a non-peptide agonist of the BB3 receptor [1].