Ligand id: 7215

Name: loperamide

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 43.78
Molecular weight 476.22
XLogP 8.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Chen Z, Davies E, Miller WS, Shan S, Valenzano KJ, Kyle DJ. (2004)
Design and synthesis of 4-phenyl piperidine compounds targeting the mu receptor.
Bioorg. Med. Chem. Lett., 14 (21): 5275-9. [PMID:15454210]
2. Mukarram O, Hindi Y, Catalasan G, Ward J. (2016)
Loperamide Induced Torsades de Pointes: A Case Report and Review of the Literature.
Case Rep Med, 2016: 4061980. [PMID:26989420]
3. Wightman RS, Hoffman RS, Howland MA, Rice B, Biary R, Lugassy D. (2016)
Not your regular high: cardiac dysrhythmias caused by loperamide.
Clin Toxicol (Phila), 54 (5): 454-8. [PMID:27022002]