imatinib

Ligand id: 5687

Name: imatinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 86.28
Molecular weight 493.26
XLogP 4.27
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: 2,9

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
discoidin domain receptor tyrosine kinase 1 DDR1 Hs Inhibitor Inhibition 9.1 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1-nonphosphorylated Hs Inhibitor Inhibition 9.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Q252H)-nonphosphorylated Hs Inhibitor Inhibition 8.7 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-nonphosphorylated Hs Inhibitor Inhibition 8.6 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(H396P)-nonphosphorylated Hs Inhibitor Inhibition 8.2 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317I)-nonphosphorylated Hs Inhibitor Inhibition 8.1 pKd
ABL proto-oncogene 2, non-receptor tyrosine kinase ABL2 Hs Inhibitor Inhibition 8.0 pKd
colony stimulating factor 1 receptor CSF1R Hs Inhibitor Inhibition 8.0 pKd
KIT proto-oncogene receptor tyrosine kinase KIT Hs Inhibitor Inhibition 7.9 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(L576P) Hs Inhibitor Inhibition 7.8 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
platelet derived growth factor receptor alpha PDGFRα/PDGFRa Hs Inhibitor Inhibition 5.9
colony stimulating factor 1 receptor Fms/FMS Hs Inhibitor Inhibition 15.3
discoidin domain receptor tyrosine kinase 2 DDR2/DDR2 Hs Inhibitor Inhibition 27.1
LCK proto-oncogene, Src family tyrosine kinase Lck/LCK Hs Inhibitor Inhibition 30.9
platelet derived growth factor receptor beta PDGFRβ/PDGFRb Hs Inhibitor Inhibition 39.1
ABL proto-oncogene 1, non-receptor tyrosine kinase Abl/ABL1 Hs Inhibitor Inhibition 44.3
Raf-1 proto-oncogene, serine/threonine kinase c-RAF/RAF1 Hs Inhibitor Inhibition 47.9
KIT proto-oncogene receptor tyrosine kinase cKit/c-Kit Hs Inhibitor Inhibition 49.6
ABL proto-oncogene 2, non-receptor tyrosine kinase Arg/ABL2(ARG) Hs Inhibitor Inhibition 55.9
LYN proto-oncogene, Src family tyrosine kinase Lyn/LYN Hs Inhibitor Inhibition 59.6
Displaying the top 10 targets  View all targets in screen »