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 GtoPdb and ChEMBL (where available) across species

Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
P2X7 Hs Antagonist Antagonist ~7.7 pIC50 - 1-3
pIC50 ~7.7 (IC50 ~2x10-8 M) [1-3]
Ligand mentioned in the following text fields