sunitinib

Ligand id: 5713

Name: sunitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.23
Molecular weight 398.21
XLogP 3.4
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: 2,7

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
platelet derived growth factor receptor beta PDGFRB Hs Inhibitor Inhibition 10.1 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(V559D,V654A) Hs Inhibitor Inhibition 9.7 pKd
fms related tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 9.7 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(V559D,T670I) Hs Inhibitor Inhibition 9.6 pKd
KIT proto-oncogene receptor tyrosine kinase KIT Hs Inhibitor Inhibition 9.4 pKd
fms related tyrosine kinase 3 FLT3 Hs Inhibitor Inhibition 9.4 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(V559D) Hs Inhibitor Inhibition 9.4 pKd
platelet derived growth factor receptor alpha PDGFRA Hs Inhibitor Inhibition 9.1 pKd
fms related tyrosine kinase 3 FLT3(ITD) Hs Inhibitor Inhibition 9.0 pKd
serine/threonine kinase 17a DRAK1 Hs Inhibitor Inhibition 9.0 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
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 2.4
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 2.7
fms related tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 2.7
leucine rich repeat kinase 2 nd/LRRK2 Hs Inhibitor Inhibition 3.3
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 3.4
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 4.1
phosphorylase kinase catalytic subunit gamma 1 nd/PHKg1 Hs Inhibitor Inhibition 5.1
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 5.9
checkpoint kinase 2 CHK2/CHK2 Hs Inhibitor Inhibition 7.1
colony stimulating factor 1 receptor Fms/FMS Hs Inhibitor Inhibition 7.3
Displaying the top 10 targets  View all targets in screen »