Ligand id: 3986

Name: A-867744

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 90.54
Molecular weight 402.08
XLogP 4.17
No. Lipinski's rules broken 0

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
nicotinic acetylcholine receptor α3 subunit Channel blocker - - - - 1
α3β4 [1]
nicotinic acetylcholine receptor α4 subunit Channel blocker - - - - 1
α4β2 [1]
nicotinic acetylcholine receptor α7 subunit Allosteric modulator Positive - - - 1
(α7)5:Type 2; also blocks α3β4 and α4β2 [1]