Ligand id: 4115

Name: A317491

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 141.44
Molecular weight 565.17
XLogP 7.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Blockade of peripheral P2X3 receptors by the antagonist A-317491, dose-dependently inhibits osteosarcoma-induced thermal hyperalgesia in mice [1]. This effect is enhanced by co-administration of the NEP/APN (enkephalinase) inhibitor PL37.
Selectivity at Human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
P2X3 Antagonist Antagonist ~7.5 pIC50 - 2
pIC50 ~7.5 (IC50 ~3.1x10-8 M) [2]
Ligand mentioned in the following text fields