cerlapirdine   Click here for help

GtoPdb Ligand ID: 7356

Synonyms: PF-05212365 | SAM-531 | WAY-262531
Compound class: Synthetic organic
Comment: Cerlapirdine is a Wyeth/Pfizer selective 5-HT6 receptor antagonist for the treatment of cognitive disorders associated with Alzheimer's disease and schizophrenia [2] . Since the phase 2 trial was stopped development may have ceased. Note, unusually, this INN is PubMed-negative so you will need to search the synonyms to find publications. The hydrochloride salt is CID 53385647.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.67
Molecular weight 409.15
XLogP 4.84
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C
Isomeric SMILES CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C
InChI InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9553 cerlapirdine
Synonyms Click here for help
PF-05212365 | SAM-531 | WAY-262531
Database Links Click here for help
Specialist databases
GPCRdb Ligand cerlapirdine
Other databases
CAS Registry No. 925448-93-7 (source: PubChem)
ChEMBL Ligand CHEMBL2103880
GtoPdb PubChem SID 178103928
PubChem CID 16071605
Search Google for chemical match using the InChIKey NXQGEDVQXVTCDA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NXQGEDVQXVTCDA
Search PubMed clinical trials cerlapirdine
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Search PubMed titles/abstracts cerlapirdine
UniChem Compound Search for chemical match using the InChIKey NXQGEDVQXVTCDA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NXQGEDVQXVTCDA-UHFFFAOYSA-N
Wikipedia Cerlapirdine