GSK-3 inhibitor IX   

GtoPdb Ligand ID: 5974

Synonyms: 6-bromoindirubin-3-oxime | BIO | BRW | indirubin deriv. 7a
Compound class: Synthetic organic
Comment: This is compound 7a in [8]. It is a synthetic analogue of 6-bromoindirubin isolated from the Mediterranean mollusc Hexaplex trunculus [6].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 73.72
Molecular weight 355
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES ONC1=c2ccccc2=NC1=C1C(=O)Nc2c1ccc(c2)Br
Isomeric SMILES ONC1=c2ccccc2=N/C/1=C/1\C(=O)Nc2c1ccc(c2)Br
InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,20,22H,(H,19,21)/b15-13-
InChI Key WNWSUJQVZJJGLF-SQFISAMPSA-N

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
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.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1,4

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
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 0.1 1.0 0.0
FGR proto-oncogene, Src family tyrosine kinase Fgr/FGR Hs Inhibitor Inhibition 3.0 1.0 2.0
glycogen synthase kinase 3 alpha GSK3α/GSK3a Hs Inhibitor Inhibition 3.6 -1.0 -1.0
glycogen synthase kinase 3 beta GSK3β/GSK3b Hs Inhibitor Inhibition 3.8 -1.0 0.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 4.0 1.0 1.0
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 5.0
FYN proto-oncogene, Src family tyrosine kinase Fyn/FYN Hs Inhibitor Inhibition 5.1 1.0 2.0
LYN proto-oncogene, Src family tyrosine kinase Lyn/LYN Hs Inhibitor Inhibition 6.0 4.0 1.0
SRC proto-oncogene, non-receptor tyrosine kinase cSrc/c-SRC Hs Inhibitor Inhibition 7.6 2.0 3.0
cyclin dependent kinase 2 CDK2-cyclin A/CDK2-cyclin A Hs Inhibitor Inhibition 7.7 37.0 38.0
Displaying the top 10 targets  View all targets in screen »