Ligand id: 2512

Name: [3H](+)-cis-diltiazem    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 84.38
Molecular weight 414.16
XLogP 3.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hagiwara M, Adachi-Akahane S, Nagao T. (1997)
High-affinity binding of DTZ323, a novel derivative of diltiazem, to rabbit skeletal muscle L-type Ca++ channels.
J. Pharmacol. Exp. Ther., 281 (1): 173-9. [PMID:9103495]
2. Nokin P, Clinet M, Beaufort P, Meysmans L, Laruel R, Chatelain P. (1990)
SR 33557, a novel calcium entry blocker. II. Interactions with 1,4-dihydropyridine, phenylalkylamine and benzothiazepine binding sites in rat heart sarcolemmal membranes.
J. Pharmacol. Exp. Ther., 255 (2): 600-7. [PMID:2147036]
3. Prinz H, Striessnig J. (1993)
Ligand-induced accelerated dissociation of (+)-cis-diltiazem from L-type Ca2+ channels is simply explained by competition for individual attachment points.
J. Biol. Chem., 268 (25): 18580-5. [PMID:8395510]