D4476

Ligand id: 5940

Name: D4476

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 103.12
Molecular weight 398.14
XLogP 3.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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
casein kinase 1 alpha 1 nd/CK1a1 Hs Inhibitor Inhibition 37.1
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 40.9 17.0 2.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 46.9
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 48.3 55.0 18.0
mitogen-activated protein kinase-activated protein kinase 5 PRAK/MAPKAPK5(PRAK) Hs Inhibitor Inhibition 69.6 110.0 89.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 78.6
Protein kinase G (PKG) 2 nd/PKG2(PRKG2) Hs Inhibitor Inhibition 81.1
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 83.1 90.0 96.0
protein kinase C eta PKCη/PKCeta Hs Inhibitor Inhibition 83.3 94.0 88.0
protein kinase D2 PKD2/PKD2(PRKD2) Hs Inhibitor Inhibition 83.4 98.0 87.0
Displaying the top 10 targets  View all targets in screen »