GSK-3beta inhibitor XI   Click here for help

GtoPdb Ligand ID: 5981

Synonyms: GSK-3b inhibitor XI
Compound class: Synthetic organic
Comment: The synthesis and discovery of this compound is described in [3] where it is compound 33.
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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 5
Topological polar surface area 110
Molecular weight 349.12
XLogP 0.13
No. Lipinski's rules broken 0
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Canonical SMILES OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1
Isomeric SMILES OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1
InChI InChI=1S/C18H15N5O3/c24-8-2-7-23-10-12(11-3-1-4-21-16(11)23)14-15(18(26)22-17(14)25)13-9-19-5-6-20-13/h1,3-6,9-10,24H,2,7-8H2,(H,22,25,26)
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 Oc Inhibitor Inhibition 7.6 pKi - 3
pKi 7.6 (Ki 2.5x10-8 M) [3]