ginkgolide X   Click here for help

GtoPdb Ligand ID: 4201

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 102.29
Molecular weight 376.15
XLogP 2.09
No. Lipinski's rules broken 0
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Canonical SMILES CC1=C2C=C3OC4C5(C3(CC2OC1=O)C(O)CC5C(C)(C)C)C(C(=O)O4)O
Isomeric SMILES CC1=C2C=C3O[C@H]4[C@@]5([C@@]3(C[C@@H]2OC1=O)[C@@H](O)C[C@H]5C(C)(C)C)[C@H](C(=O)O4)O
InChI InChI=1S/C20H24O7/c1-8-9-5-13-19(7-10(9)25-15(8)23)12(21)6-11(18(2,3)4)20(19)14(22)16(24)27-17(20)26-13/h5,10-12,14,17,21-22H,6-7H2,1-4H3/t10-,11-,12-,14-,17+,19-,20-/m0/s1
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
glycine receptor α1 subunit Hs Antagonist Antagonist 6.1 pIC50 -
pIC50 6.1 (IC50 7.6x10-7 M)
glycine receptor α2 subunit Hs Antagonist Antagonist 5.6 pIC50 -
pIC50 5.6 (IC50 2.8x10-6 M)
glycine receptor β subunit Hs Antagonist Antagonist >3.5 pIC50 -
pIC50 >3.5 (IC50 <3x10-4 M) when co-expressed with the α1 subunit
pIC50 >3.5 (IC50 <3x10-4 M) when co-expressed with the α2 subunit