cyproheptadine   Click here for help

GtoPdb Ligand ID: 277

Synonyms: cyproheptidine | Periactin® | Peritol®
Approved drug PDB Ligand
cyproheptadine is an approved drug (FDA (1961))
Compound class: Synthetic organic
Comment: Cyproheptadine is a histamine H1 receptor antagonist, and also antagonizes serotonin receptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 3.24
Molecular weight 287.17
XLogP 4.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1
Isomeric SMILES CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1
InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
InChI Key JJCFRYNCJDLXIK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1961))
IUPAC Name Click here for help
1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine
International Nonproprietary Names Click here for help
INN number INN
872 cyproheptadine
Synonyms Click here for help
cyproheptidine | Periactin® | Peritol®
Database Links Click here for help
BindingDB Ligand 50017721
CAS Registry No. 129-03-3
ChEBI CHEBI:111005
ChEMBL Ligand CHEMBL516
DrugBank Ligand DB00434
DrugCentral Ligand 765
GtoPdb PubChem SID 135650152
PubChem CID 2913
RCSB PDB Ligand C7H
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Wikipedia Cyproheptadine