GSK-3beta inhibitor II   Click here for help

GtoPdb Ligand ID: 5978

Synonyms: GSK-3b inhibitor II
Compound class: Synthetic organic
Comment: This is compound 12 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 77.11
Molecular weight 394.96
XLogP 4.91
No. Lipinski's rules broken 0
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Canonical SMILES Ic1cccc(c1)CSc1nnc(o1)c1ccncc1
Isomeric SMILES Ic1cccc(c1)CSc1nnc(o1)c1ccncc1
InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
glycogen synthase kinase 3 beta Primary target of this compound Hs Inhibitor Inhibition 6.4 pIC50 - 3
pIC50 6.4 (IC50 3.9x10-7 M) [3]