dovitinib

Ligand id: 5962

Name: dovitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 85.99
Molecular weight 392.18
XLogP 2.29
No. Lipinski's rules broken 0

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 Hs Inhibitor Inhibition 9.2 pKd
fms related tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 9.0 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(L576P) Hs Inhibitor Inhibition 8.8 pKd
myosin light chain kinase 3 MLCK Hs Inhibitor Inhibition 8.7 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(V559D,V654A) Hs Inhibitor Inhibition 8.5 pKd
fms related tyrosine kinase 3 FLT3(ITD) Hs Inhibitor Inhibition 8.4 pKd
platelet derived growth factor receptor beta PDGFRB Hs Inhibitor Inhibition 8.4 pKd
fms related tyrosine kinase 3 FLT3(N841I) Hs Inhibitor Inhibition 8.3 pKd
fms related tyrosine kinase 3 FLT3(D835Y) Hs Inhibitor Inhibition 8.3 pKd
fms related tyrosine kinase 3 FLT3(D835H) Hs Inhibitor Inhibition 8.2 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
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 1.5
misshapen like kinase 1 MINK/MINK(MINK1) Hs Inhibitor Inhibition 1.6
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 2.4
fms related tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 3.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 3.0
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 3.1
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 3.3
neurotrophic receptor tyrosine kinase 1 TrkA/TRKA Hs Inhibitor Inhibition 4.6
LCK proto-oncogene, Src family tyrosine kinase Lck/LCK Hs Inhibitor Inhibition 4.7
neurotrophic receptor tyrosine kinase 2 TrkB/TRKB Hs Inhibitor Inhibition 5.7
Displaying the top 10 targets  View all targets in screen »