[3H]A-585539   

GtoPdb Ligand ID: 3974

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 29.02
Molecular weight 281.18
XLogP 2.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C[N+]1(C)CC2CC1CN2c1ccc(nn1)c1ccccc1
Isomeric SMILES C[N+]1(C)CC2CC1CN2c1ccc(nn1)c1ccccc1
InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1
InChI Key AKMKIDQMKPFYDJ-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α7 subunit Hs Agonist Full agonist 10.1 pKd - 1
pKd 10.1 (Kd 7x10-11 M) native α7 [1]