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