[3H](-)devapamil   

GtoPdb Ligand ID: 2515

   
Compound class: Synthetic organic
2D Structure
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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 5.05
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES COc1cccc(c1)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C
Isomeric SMILES COc1cccc(c1)CCN(CCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C
InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t26-/m0/s1
InChI Key VMVKIDPOEOLUFS-SANMLTNESA-N
References
1. Goll A, Ferry DR, Striessnig J, Schober M, Glossmann H. (1984)
(-)-[3H]Desmethoxyverapamil, a novel Ca2+ channel probe. Binding characteristics and target size analysis of its receptor in skeletal muscle.
FEBS Lett., 176 (2): 371-7. [PMID:6092142]
2. 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]
3. 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]
4. Zheng W, Rampe D, Triggle DJ. (1991)
Pharmacological, radioligand binding, and electrophysiological characteristics of FPL 64176, a novel nondihydropyridine Ca2+ channel activator, in cardiac and vascular preparations.
Mol. Pharmacol., 40 (5): 734-41. [PMID:1719369]