Ligand id: 2517

Name: (-)-devapamil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 54.72
Molecular weight 424.27
XLogP 5.37
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Hockerman GH, Johnson BD, Scheuer T, Catterall WA. (1995)
Molecular determinants of high affinity phenylalkylamine block of L-type calcium channels.
J. Biol. Chem., 270 (38): 22119-22. [PMID:7673189]
2. Johnson BD, Hockerman GH, Scheuer T, Catterall WA. (1996)
Distinct effects of mutations in transmembrane segment IVS6 on block of L-type calcium channels by structurally similar phenylalkylamines.
Mol. Pharmacol., 50 (5): 1388-400. [PMID:8913371]