A740003

Ligand id: 4119

Name: A740003

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 120.66
Molecular weight 474.24
XLogP 4.66
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!)

Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
P2X7 Antagonist Antagonist 7.4 pIC50 - 1
pIC50 7.4 (IC50 4x10-8 M) [1]
Ligand mentioned in the following text fields