ATM/ATR kinase inhibitor

Ligand id: 5929

Name: ATM/ATR kinase inhibitor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 128.39
Molecular weight 554.01
XLogP 10.17
No. Lipinski's rules broken 2

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.

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
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 73.1 108.0 102.0
death associated protein kinase 1 DAPK1/DAPK1 Hs Inhibitor Inhibition 75.1 90.0 71.0
serine/threonine kinase 39 nd/STK39(STLK3) Hs Inhibitor Inhibition 77.0
beta adrenergic receptor kinase 1 nd/GRK2 Hs Inhibitor Inhibition 79.5
aurora kinase A Aurora-A/Aurora A Hs Inhibitor Inhibition 80.8 83.0 69.0
mitogen-activated protein kinase 8 JNK1α1/JNK1 Hs Inhibitor Inhibition 82.1 120.0 102.0
mitogen-activated protein kinase kinase 2 nd/MEK2 Hs Inhibitor Inhibition 82.3
casein kinase 1 gamma 1 CK1γ1/CK1g1 Hs Inhibitor Inhibition 83.3 94.0 55.0
FGR proto-oncogene, Src family tyrosine kinase Fgr/FGR Hs Inhibitor Inhibition 84.5 105.0 107.0
DM1 protein kinase DMPK/DMPK Hs Inhibitor Inhibition 85.5 71.0 106.0
Displaying the top 10 targets  View all targets in screen »