A-582941   

GtoPdb Ligand ID: 3995

Synonyms: A 582941 | A582941
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 32.26
Molecular weight 280.17
XLogP 2.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CC2C(C1)CN(C2)c1ccc(nn1)c1ccccc1
Isomeric SMILES CN1CC2C(C1)CN(C2)c1ccc(nn1)c1ccccc1
InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3
InChI Key GTMRUYCIJSNXGB-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 - - - 1
(α7)5 [1]