nisoldipine   Click here for help

GtoPdb Ligand ID: 2524

Synonyms: Sular®
Approved drug
nisoldipine is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Nisoldipine is a dihydropyridine calcium channel blocker.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 107.77
Molecular weight 388.16
XLogP 4.38
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C
Isomeric SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C
InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Cav1.2 Mm Gating inhibitor Antagonist 7.0 – 8.0 pIC50 - 1
pIC50 7.0 – 8.0 [1]
Voltage: -80.0 mV
Cav1.2 Hs Gating inhibitor Antagonist 7.1 pIC50 - 2
pIC50 7.1 [2]
Voltage: -80.0 mV
Cav1.3 Mm Gating inhibitor - 6.4 – 7.0 pIC50 - 3
pIC50 6.4 – 7.0 [3]
Voltage: -80.0 mV