Ligand id: 4125

Name: AF353

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.28
Molecular weight 400.04
XLogP 3.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
P2X3 Hs Antagonist Antagonist ~8.0 pIC50 - 1
pIC50 ~8.0 (IC50 ~1x10-8 M) [1]