Ligand id: 6176

Name: bantag-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 8
Rotatable bonds 29
Topological polar surface area 199.26
Molecular weight 894.63
XLogP 4.71
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Guan XM, Chen H, Dobbelaar PH, Dong Y, Fong TM, Gagen K, Gorski J, He S, Howard AD, Jian T et al. (2010)
Regulation of energy homeostasis by bombesin receptor subtype-3: selective receptor agonists for the treatment of obesity.
Cell Metabolism, 11 (2): 101-112. [PMID:20096642]
2. Moreno P, Mantey SA, Nuche-Berenguer B, Reitman ML, Gonzalez N, , Coy DH, Jensen RT. (2013)
Comparative Pharmacology of Bombesin Receptor Subtype-3, Nonpeptide Agonist MK-5046, a Universal Peptide Agonist, and Peptide Antagonist Bantag-1 for Human Bombesin Receptors.
Pharmacol Exp Therap, 347 (1): 100-116. [PMID:23892571]