JAK3 inhibitor IV   

GtoPdb Ligand ID: 5994

Synonyms: ZM-39923 | ZM39923
Compound class: Synthetic organic
Comment: This is compound 7 in [2], and is also known as ZM39923. It was originally identified as an ATP-binding site inhibitor of JAK3 [5], but has additionally been reported to inhibit transglutaminase 2 (TGM2) with nanomolar potency in vitro [4].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 331.19
XLogP 5.44
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C
Isomeric SMILES CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C
InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
InChI Key JSASWRWALCMOQP-UHFFFAOYSA-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
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 78.3 91.0 79.0
megakaryocyte-associated tyrosine kinase nd/CTK(MATK) Hs Inhibitor Inhibition 80.7
Janus kinase 3 JAK3/JAK3 Hs Inhibitor Inhibition 80.9 78.0 45.0
NIMA related kinase 1 nd/NEK1 Hs Inhibitor Inhibition 81.9
mitogen-activated protein kinase kinase 1 MEK1/MEK1 Hs Inhibitor Inhibition 82.5 107.0 91.0
dual serine/threonine and tyrosine protein kinase nd/RIPK5 Hs Inhibitor Inhibition 84.9
EPH receptor A3 EphA3/EPHA3 Hs Inhibitor Inhibition 85.0 96.0 85.0
calcium/calmodulin dependent protein kinase kinase 2 nd/CAMKK2 Hs Inhibitor Inhibition 85.2
NUAK family, SNF1-like kinase, 2 nd/SNARK(NUAK2) Hs Inhibitor Inhibition 85.4
fms related receptor tyrosine kinase 1 Flt1/FLT1(VEGFR1) Hs Inhibitor Inhibition 86.0 91.0 82.0
Displaying the top 10 targets  View all targets in screen »