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 3.64
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, Cahalan M, Gutman GA, Chandy KG. (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]