diltiazem

Ligand id: 2298

Name: diltiazem

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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 2.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Baumann L, Gerstner A, Zong X, Biel M, Wahl-Schott C. (2004)
Functional characterization of the L-type Ca2+ channel Cav1.4alpha1 from mouse retina.
Invest. Ophthalmol. Vis. Sci., 45 (2): 708-13. [PMID:14744918]
2. Grissmer S, Nguyen AN, Aiyar J, Hanson DC, Mather RJ, Gutman GA, Karmilowicz MJ, Auperin DD, Chandy KG. (1994)
Pharmacological characterization of five cloned voltage-gated K+ channels, types Kv1.1, 1.2, 1.3, 1.5, and 3.1, stably expressed in mammalian cell lines.
Mol. Pharmacol., 45 (6): 1227-34. [PMID:7517498]
3. Gunthorpe MJ, Lummis SC. (1999)
Diltiazem causes open channel block of recombinant 5-HT3 receptors.
J. Physiol. (Lond.), 519 Pt 3: 713-22. [PMID:10457085]
4. Kalman K, Nguyen A, Tseng-Crank J, Dukes ID, Chandy G, Hustad CM, Copeland NG, Jenkins NA, Mohrenweiser H, Brandriff B et al.. (1998)
Genomic organization, chromosomal localization, tissue distribution, and biophysical characterization of a novel mammalian Shaker-related voltage-gated potassium channel, Kv1.7.
J. Biol. Chem., 273 (10): 5851-7. [PMID:9488722]
5. Lee BH, Choi SH, Pyo MK, Shin TJ, Hwang SH, Kim BR, Lee JH, Rhim H, Kim HC, Nah SY. (2009)
A role for the Val291 residue within the transmembrane domain 2 in diltiazem- and TMB-8 [3,4,5-trimethoxybenzoic acid 8-(diethylamino)octyl ester]-mediated 5-hydroxytryptamine type 3A receptor regulations.
Biol. Pharm. Bull., 32 (5): 861-7. [PMID:19420755]
6. Thompson AJ, Duke RK, Lummis SC. (2011)
Binding sites for bilobalide, diltiazem, ginkgolide, and picrotoxinin at the 5-HT3 receptor.
Mol. Pharmacol., 80 (1): 183-90. [PMID:21505038]