TC-2559   

GtoPdb Ligand ID: 3987

Synonyms: TC2559
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 34.15
Molecular weight 206.14
XLogP 1.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCCC=Cc1cncc(c1)OCC
Isomeric SMILES CNCC/C=C/c1cncc(c1)OCC
InChI InChI=1S/C12H18N2O/c1-3-15-12-8-11(9-14-10-12)6-4-5-7-13-2/h4,6,8-10,13H,3,5,7H2,1-2H3/b6-4+
InChI Key HFZDMKMXPGRKCK-GQCTYLIASA-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 α4 subunit Hs Agonist Full agonist - - - 1
α4β2 [1]