SU11652   

GtoPdb Ligand ID: 6043

Synonyms: SU-11652
Compound class: Synthetic organic
Comment: SU11652 is a cell-permeable compound that acts as a potent, reversible, and ATP-competitive tyrosine kinase receptor inhibitor. The synthesis and discovery of this compound is decribed in [4], where it is compound 12c.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.23
Molecular weight 414.18
XLogP 3.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(Cl)cc2)CC
Isomeric SMILES CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(Cl)cc2)CC
InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChI Key XPLJEFSRINKZLC-ATVHPVEESA-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: 1,3

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
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 0.8 1.0 -1.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 0.8
leucine rich repeat kinase 2 nd/LRRK2 Hs Inhibitor Inhibition 1.4
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 1.9
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 2.1 6.0 6.0
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 2.5 -1.0 -1.0
serine/threonine kinase 4 MST1/MST1(STK4) Hs Inhibitor Inhibition 3.0 12.0 5.0
phosphorylase kinase catalytic subunit gamma 1 nd/PHKg1 Hs Inhibitor Inhibition 3.2
ALK receptor tyrosine kinase ALK/ALK Hs Inhibitor Inhibition 3.5 8.0 2.0
mitogen-activated protein kinase kinase kinase 7 TAK1/TAK1 Hs Inhibitor Inhibition 3.5 4.0 -3.0
Displaying the top 10 targets  View all targets in screen »