[3H](+)-cis-diltiazem   Click here for help

GtoPdb Ligand ID: 2512

Synonyms: [3H]-(+)-cis-diltiazem
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C
Isomeric SMILES COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C
InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Cav1.2 Rn Gating inhibitor Antagonist 7.2 pKd - 2
pKd 7.2 [2]
Cav1.1 Oc Gating inhibitor Antagonist 6.5 – 7.4 pKd - 1,3
pKd 6.5 – 7.4 [1,3]