bosutinib

Ligand id: 5710

Name: bosutinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 82.88
Molecular weight 529.16
XLogP 2.57
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: 3,9

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-phosphorylated Hs Inhibitor Inhibition 10.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Y253F)-phosphorylated Hs Inhibitor Inhibition 10.4 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(M351T)-phosphorylated Hs Inhibitor Inhibition 10.4 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Q252H)-phosphorylated Hs Inhibitor Inhibition 10.4 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(E255K)-phosphorylated Hs Inhibitor Inhibition 10.3 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(H396P)-phosphorylated Hs Inhibitor Inhibition 10.2 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1-phosphorylated Hs Inhibitor Inhibition 10.2 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(H396P)-nonphosphorylated Hs Inhibitor Inhibition 10.2 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Q252H)-nonphosphorylated Hs Inhibitor Inhibition 10.1 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-nonphosphorylated Hs Inhibitor Inhibition 10.0 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: 1,4

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
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 1.0
misshapen like kinase 1 MINK/MINK(MINK1) Hs Inhibitor Inhibition 1.2
erb-b2 receptor tyrosine kinase 4 ErbB4/ERBB4(HER4) Hs Inhibitor Inhibition 1.5
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 1.7
ABL proto-oncogene 1, non-receptor tyrosine kinase Abl/ABL1 Hs Inhibitor Inhibition 1.8
LCK proto-oncogene, Src family tyrosine kinase Lck/LCK Hs Inhibitor Inhibition 1.9
salt inducible kinase 2 nd/SIK2 Hs Inhibitor Inhibition 1.9
LYN proto-oncogene, Src family tyrosine kinase Lyn/LYN Hs Inhibitor Inhibition 2.1
ABL proto-oncogene 2, non-receptor tyrosine kinase Arg/ABL2(ARG) Hs Inhibitor Inhibition 2.2
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 3.2
Displaying the top 10 targets  View all targets in screen »