[3H]strychnine   

GtoPdb Ligand ID: 2360

   
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 32.78
Molecular weight 334.17
XLogP 0.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3
Isomeric SMILES O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3
InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-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
Glycine Receptor (All subtypes) Hs Antagonist Antagonist 8.5 pKd - 1-2
pKd 8.5 [1-2]
Glycine Receptor (All subtypes) Rn Antagonist Antagonist 8.5 pKd - 2
pKd 8.5 [2]
glycine receptor α1 subunit Hs Antagonist Antagonist - - -
glycine receptor α2 subunit Hs Antagonist Antagonist - - -
glycine receptor α3 subunit Hs Antagonist Antagonist - - -