pizotifen   Click here for help

GtoPdb Ligand ID: 93

Synonyms: BC-105 | pizotifan | pizotyline | sandomigran
Approved drug
pizotifen is an approved drug (UK (1998))
Compound class: Synthetic organic
Comment: Pizotifen is a benzocycloheptene-based anti-migraine drug, acting principally as an antagonist of serotonin 5-HT2A and 5-HT2C 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 31.48
Molecular weight 295.14
XLogP 2.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1
Isomeric SMILES CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1
InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
InChI Key FIADGNVRKBPQEU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (1998))
IUPAC Name Click here for help
1-methyl-4-{6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine
International Nonproprietary Names Click here for help
INN number INN
2693 pizotifen
Synonyms Click here for help
BC-105 | pizotifan | pizotyline | sandomigran
Database Links Click here for help
BindingDB Ligand 82088
CAS Registry No. 73391-87-4
ChEBI CHEBI:50212
ChEMBL Ligand CHEMBL294951
DrugCentral Ligand 2220
GtoPdb PubChem SID 135650835
PubChem CID 27400
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Wikipedia Pizotifen