compound 9g [PMID: 24412111]

Ligand id: 8509

Name: compound 9g [PMID: 24412111]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 104.65
Molecular weight 500.17
XLogP 4.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Database Links
BindingDB Ligand 50447475
ChEMBL Ligand CHEMBL3115390
PubChem CID 72944991
Search Google for chemical match using the InChIKey PPSMYAUEJRADFE-HXUWFJFHSA-N
Search Google for chemicals with the same backbone PPSMYAUEJRADFE
Search UniChem for chemical match using the InChIKey PPSMYAUEJRADFE-HXUWFJFHSA-N
Search UniChem for chemicals with the same backbone PPSMYAUEJRADFE
Comments
Compound 9g is reported as a non-peptide, selective agonist of the bombesin BB3 receptor [1].