Ligand id: 9469

Name: MRS4162  

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 10
Rotatable bonds 39
Topological polar surface area 467.74
Molecular weight 1387.36
XLogP 3.23
No. Lipinski's rules broken 3

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
P2Y6 receptor Hs Antagonist Antagonist 7.6 pEC50 - 1
pEC50 7.6 (EC50 2.3x10-8 M) [1]