A839977

Ligand id: 4122

Name: A839977

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 77.75
Molecular weight 412.06
XLogP 5.59
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 ~7.7 pIC50 - 1-3
pIC50 ~7.7 (IC50 ~2x10-8 M) [1-3]
Ligand mentioned in the following text fields