Ligand id: 2406

Name: verapamil

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 63.95
Molecular weight 454.28
XLogP 4.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bardien-Kruger S, Wulff H, Arieff Z, Brink P, Chandy KG, Corfield V. (2002)
Characterisation of the human voltage-gated potassium channel gene, KCNA7, a candidate gene for inherited cardiac disorders, and its exclusion as cause of progressive familial heart block I (PFHBI).
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Functional characterization of the L-type Ca2+ channel Cav1.4alpha1 from mouse retina.
Invest. Ophthalmol. Vis. Sci., 45 (2): 708-13. [PMID:14744918]
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The voltage-gated sodium channel TPC1 confers endolysosomal excitability.
Nat. Chem. Biol., 10 (6): 463-9. [PMID:24776928]
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Interaction of organic cations with a newly identified plasma membrane monoamine transporter.
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5. 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.
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6. Kofuji P, Hofer M, Millen KJ, Millonig JH, Davidson N, Lester HA, Hatten ME. (1996)
Functional analysis of the weaver mutant GIRK2 K+ channel and rescue of weaver granule cells.
Neuron, 16 (5): 941-52. [PMID:8630252]
7. Lang R, Lee G, Liu W, Tian S, Rafi H, Orias M, Segal AS, Desir GV. (2000)
KCNA10: a novel ion channel functionally related to both voltage-gated potassium and CNG cation channels.
Am. J. Physiol. Renal Physiol., 278 (6): F1013-21. [PMID:10836990]
8. Madeja M, Müller V, Musshoff U, Speckmann EJ. (2000)
Sensitivity of native and cloned hippocampal delayed-rectifier potassium channels to verapamil.
Neuropharmacology, 39 (2): 202-10. [PMID:10670415]
9. Wang J. (2016)
The plasma membrane monoamine transporter (PMAT): Structure, function, and role in organic cation disposition.
Clin. Pharmacol. Ther., 100 (5): 489-499. [PMID:27506881]
10. Wang X, Zhang X, Dong XP, Samie M, Li X, Cheng X, Goschka A, Shen D, Zhou Y, Harlow J et al.. (2012)
TPC proteins are phosphoinositide- activated sodium-selective ion channels in endosomes and lysosomes.
Cell, 151 (2): 372-83. [PMID:23063126]
11. Yeo KR, Yeo WW. (2001)
Inhibitory effects of verapamil and diltiazem on simvastatin metabolism in human liver microsomes.
Br J Clin Pharmacol, 51 (5): 461-70. [PMID:11422004]