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)

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 6.0 3.0
aurora kinase B Aurora-B/Aurora B Hs Inhibitor Inhibition 14.0 9.0
fms related receptor tyrosine kinase 4 Flt4/FLT4 Hs Inhibitor Inhibition 28.0 30.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 34.0 10.0
ribosomal protein S6 kinase A3 Rsk2/RSK2 Hs Inhibitor Inhibition 41.0 45.0
fms related receptor tyrosine kinase 1 Flt1/FLT1(VEGFR1) Hs Inhibitor Inhibition 41.0 46.0
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 46.0 16.0
Pim-2 proto-oncogene, serine/threonine kinase Pim-2/PIM2 Hs Inhibitor Inhibition 49.0 43.0
CDC like kinase 2 CLK2/CLK2 Hs Inhibitor Inhibition 52.0 36.0
colony stimulating factor 1 receptor Fms/FMS Hs Inhibitor Inhibition 54.0 49.0
Displaying the top 10 targets  View all targets in screen »