SB 202474   Click here for help

GtoPdb Ligand ID: 6036

Synonyms: AG-J-84442
Compound class: Synthetic organic
Comment: SB 202474 is an inactive analogue of the p38 MAPK inhibitors SB202190 and SB203580.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 50.8
Molecular weight 279.14
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC
Isomeric SMILES CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC
InChI InChI=1S/C17H17N3O/c1-3-15-16(12-8-10-18-11-9-12)20-17(19-15)13-4-6-14(21-2)7-5-13/h4-11H,3H2,1-2H3,(H,19,20)
InChI Key MYKGURNPAUBQLJ-UHFFFAOYSA-N

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.

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


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
histone H3 associated protein kinase Haspin/Haspin Hs Inhibitor Inhibition 55.9 45.0 4.0
NIMA related kinase 11 NEK11/NEK11 Hs Inhibitor Inhibition 77.4 62.0 72.0
Protein kinase G (PKG) 1 PKG1α/PKG1a Hs Inhibitor Inhibition 81.0 102.0 61.0
unc-51 like kinase 3 ULK3/ULK3 Hs Inhibitor Inhibition 83.4 106.0 98.0
unc-51 like autophagy activating kinase 1 nd/ULK1 Hs Inhibitor Inhibition 84.5
Insulin receptor IR/IR Hs Inhibitor Inhibition 85.0 138.0 132.0
dual specificity tyrosine phosphorylation regulated kinase 2 DYRK2/DYRK2 Hs Inhibitor Inhibition 85.8 87.0 34.0
muscle associated receptor tyrosine kinase MuSK/MUSK Hs Inhibitor Inhibition 85.9 117.0 76.0
activin A receptor type 1B nd/ALK4(ACVR1B) Hs Inhibitor Inhibition 86.5 94.0 97.0
erb-b2 receptor tyrosine kinase 4 ErbB4/ERBB4(HER4) Hs Inhibitor Inhibition 86.8 92.0 108.0
Displaying the top 10 targets  View all targets in screen »