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)
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Molecular structure representations generated using Open Babel