compound 3b [PMID:28943244]

Ligand id: 9825

Name: compound 3b [PMID:28943244]

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 57.7
Molecular weight 340.19
XLogP 1.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Hs Antagonist Antagonist 10.6 pKi - 1
pKi 10.6 (Ki 2.24x10-11 M) [1]