PDGF receptor tyrosine kinase inhibitor II   

GtoPdb Ligand ID: 6018

Synonyms: bis(1H-2-indolyl)methanone deriv. 52 | D-65476
Compound class: Synthetic organic
Comment: This is compound 52 in [3].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 74.95
Molecular weight 346.13
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2
Isomeric SMILES CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2
InChI InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3
InChI Key CZDUJGOCEPWCNA-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: 1-2

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
NUAK family, SNF1-like kinase, 2 nd/SNARK(NUAK2) Hs Inhibitor Inhibition 73.4
mitogen-activated protein kinase 9 JNK2α2/JNK2 Hs Inhibitor Inhibition 76.0 109.0 89.0
casein kinase 1 gamma 1 CK1γ1/CK1g1 Hs Inhibitor Inhibition 76.1 90.0 92.0
tyrosine kinase non receptor 2 ACK1/ACK1 Hs Inhibitor Inhibition 77.7 72.0 65.0
testis specific serine kinase 2 TSSK2/TSSK2 Hs Inhibitor Inhibition 78.0 96.0 96.0
testis specific serine kinase 1B TSSK1/STK22D(TSSK1) Hs Inhibitor Inhibition 78.1 93.0 82.0
muscle associated receptor tyrosine kinase MuSK/MUSK Hs Inhibitor Inhibition 79.8 95.0 76.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 79.9 73.0 50.0
mitogen-activated protein kinase kinase kinase 2 nd/MEKK2 Hs Inhibitor Inhibition 81.7
IL2 inducible T cell kinase Itk/ITK Hs Inhibitor Inhibition 82.0 105.0 101.0
Displaying the top 10 targets  View all targets in screen »