cimetidine   Click here for help

GtoPdb Ligand ID: 1231

Synonyms: cimetidine HCl | Tagamet®
Approved drug
cimetidine is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Cimetidine is a histamine H2 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 114.19
Molecular weight 252.12
XLogP 1.02
No. Lipinski's rules broken 0
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Canonical SMILES N#CNC(=NC)NCCSCc1nc[nH]c1C
Isomeric SMILES N#CNC(=NC)NCCSCc1nc[nH]c1C
InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
No information available.
Summary of Clinical Use Click here for help
Cimetidine is used to treat and/or manage acid-reflux disorders, peptic ulcers, heartburn, and acid indigestion.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
By antagonising the activity of the histamine H2 receptor, cimetidine inhibits the secretion of gastric acid (and reduces acidity) from the parietal cells of the stomach lining.
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