Ligand id: 4130

Name: AMG628

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 111.72
Molecular weight 492.17
XLogP 4.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wang HL, Katon J, Balan C, Bannon AW, Bernard C, Doherty EM, Dominguez C, Gavva NR, Gore V, Ma V et al.. (2007)
Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.
J. Med. Chem., 50 (15): 3528-39. [PMID:17585751]