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

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

Reference: 1-2

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 42.7 32.0 10.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 59.8 43.0 33.0
PDZ binding kinase nd/PBK(TOPK) Hs Inhibitor Inhibition 62.7
p21 (RAC1) activated kinase 6 PAK6/PAK6 Hs Inhibitor Inhibition 74.0 89.0 73.0
casein kinase 1 gamma 3 CK1γ3/CK1g3 Hs Inhibitor Inhibition 75.9 80.0 59.0
CDC like kinase 3 CLK3/CLK3 Hs Inhibitor Inhibition 76.3 65.0 45.0
kinase insert domain receptor KDR/KDR(VEGFR2) Hs Inhibitor Inhibition 78.1 77.0 65.0
protein kinase X-linked PrKX/PRKX Hs Inhibitor Inhibition 78.2 57.0 71.0
casein kinase 2, alpha prime polypeptide subunit CK2α2/CK2a2 Hs Inhibitor Inhibition 81.0 101.0 97.0
Insulin receptor IR/IR Hs Inhibitor Inhibition 83.5 93.0 82.0
Displaying the top 10 targets  View all targets in screen »