PDGF receptor tyrosine kinase inhibitor III   Click here for help

GtoPdb Ligand ID: 6019

Compound class: Synthetic organic
Comment: This is compound 1a in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 89.05
Molecular weight 485.21
XLogP 3.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1
Isomeric SMILES COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1
InChI InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
InChI Key INTPTKHSGKBHHW-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
platelet derived growth factor receptor alpha PDGFRα/PDGFRa Hs Inhibitor Inhibition 16.4 26.0 6.0
platelet derived growth factor receptor beta PDGFRβ/PDGFRb Hs Inhibitor Inhibition 28.9 40.0 10.0
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 43.2 37.0 18.0
KIT proto-oncogene, receptor tyrosine kinase cKit/c-Kit Hs Inhibitor Inhibition 48.2 37.0 7.0
MER proto-oncogene, tyrosine kinase Mer/c-MER Hs Inhibitor Inhibition 60.0 97.0 60.0
casein kinase 2, alpha prime polypeptide subunit CK2α2/CK2a2 Hs Inhibitor Inhibition 61.9 111.0 65.0
testis specific serine kinase 1B TSSK1/STK22D(TSSK1) Hs Inhibitor Inhibition 65.2 88.0 76.0
CDC like kinase 4 nd/CLK4 Hs Inhibitor Inhibition 65.6
colony stimulating factor 1 receptor Fms/FMS Hs Inhibitor Inhibition 67.2 7.0 2.0
LIM domain kinase 1 LIMK1/LIMK1 Hs Inhibitor Inhibition 69.8 54.0 14.0
Displaying the top 10 targets  View all targets in screen »