nifedipine   Click here for help

GtoPdb Ligand ID: 2514

Synonyms: Adalat® | BAY-A-1040 | Procardia®
Approved drug PDB Ligand
nifedipine is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: One of the dihydropyridine class of drugs.
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View more information in the IUPHAR Pharmacology Education Project: nifedipine

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 107.77
Molecular weight 346.12
XLogP 3.31
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)OC)C
Isomeric SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C
InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
No information available.
Summary of Clinical Use Click here for help
Used in the management of vasospastic angina, chronic stable angina, hypertension, and Raynaud's phenomenon.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Nifedipine inhibits the influx of calcium ions through L-type calcium channels leading to decreased arterial smooth muscle contraction and vasoconstricton. For a complete overview of the mechanism of action of nifedipine, please see the DrugBank entry linked to from this ligand page.
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