Ligand id: 7356

Name: cerlapirdine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.67
Molecular weight 409.15
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
No PMID could be found for activity data but the Ki and IC50 were reported as a potent and selective full antagonist of human 5-HT6R [3]. There is Ki SAR for over 200 analogs in WO2007021711 [1] but with binned values. This compound is example 14.
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
5-HT6 receptor Hs Antagonist Antagonist 8.9 pKi - 3
pKi 8.9 (Ki 1.3x10-9 M) [3]