midostaurin

Ligand id: 5702

Name: midostaurin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 77.73
Molecular weight 570.23
XLogP 6.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 2,6

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
fms related tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 8.7 pKd
fms related tyrosine kinase 3 FLT3(N841I) Hs Inhibitor Inhibition 8.2 pKd
fms related tyrosine kinase 3 FLT3(D835H) Hs Inhibitor Inhibition 8.2 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(D816V) Hs Inhibitor Inhibition 8.1 pKd
epidermal growth factor receptor EGFR(L858R,T790M) Hs Inhibitor Inhibition 8.1 pKd
protein kinase N1 PKN1 Hs Inhibitor Inhibition 8.0 pKd
TANK binding kinase 1 TBK1 Hs Inhibitor Inhibition 8.0 pKd
epidermal growth factor receptor EGFR(T790M) Hs Inhibitor Inhibition 8.0 pKd
fms related tyrosine kinase 3 FLT3 Hs Inhibitor Inhibition 8.0 pKd
fms related tyrosine kinase 3 FLT3(ITD) Hs Inhibitor Inhibition 8.0 pKd
Displaying the top 10 targets  View all targets in screen »
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
Protein kinase G (PKG) 2 nd/PKG2(PRKG2) Hs Inhibitor Inhibition -9.4
mitogen-activated protein kinase kinase kinase 9 MLK1/MLK19MAP3K90 Hs Inhibitor Inhibition 0.4 1.0 1.0
ribosomal protein S6 kinase A1 Rsk1/RSK1 Hs Inhibitor Inhibition 0.4 0.0 1.0
tyrosine kinase non receptor 2 ACK1/ACK1 Hs Inhibitor Inhibition 0.5 11.0 -1.0
Janus kinase 3 JAK3/JAK3 Hs Inhibitor Inhibition 0.8 1.0 1.0
ribosomal protein S6 kinase A6 Rsk4/RSK4 Hs Inhibitor Inhibition 1.2 0.0 3.0
mitogen-activated protein kinase kinase kinase 11 nd/MLK3(MAP3K11) Hs Inhibitor Inhibition 1.4
protein kinase N1 nd/PKN1(PRK1) Hs Inhibitor Inhibition 1.4
serine/threonine kinase 3 MST2/MST2(STK3) Hs Inhibitor Inhibition 1.9 3.0 0.0
phosphorylase kinase catalytic subunit gamma 1 nd/PHKg1 Hs Inhibitor Inhibition 2.3
Displaying the top 10 targets  View all targets in screen »