compound 17c [PMID: 25497965]

Ligand id: 8507

Name: compound 17c [PMID: 25497965]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 108.83
Molecular weight 493.18
XLogP 4.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(5R)-4-(2-{3-[(3-methylbutanoyl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Database Links
PubChem CID 91827364
Search Google for chemical match using the InChIKey CJLZUKCACMUYFP-GOSISDBHSA-N
Search Google for chemicals with the same backbone CJLZUKCACMUYFP
Search UniChem for chemical match using the InChIKey CJLZUKCACMUYFP-GOSISDBHSA-N
Search UniChem for chemicals with the same backbone CJLZUKCACMUYFP
Comments
Compound 17c is reported as a selective, non-peptide agonist of the bombesin BB3 receptor [1].