nilotinib

Ligand id: 5697

Name: nilotinib

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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 97.62
Molecular weight 529.18
XLogP 6.36
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: 2,10

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 9.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(H396P)-nonphosphorylated Hs Inhibitor Inhibition 8.3 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1-nonphosphorylated Hs Inhibitor Inhibition 8.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Q252H)-nonphosphorylated Hs Inhibitor Inhibition 8.0 pKd
ZAK sterile alpha motif and leucine zipper containing kinase AZK ZAK Hs Inhibitor Inhibition 8.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-nonphosphorylated Hs Inhibitor Inhibition 7.9 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1-phosphorylated Hs Inhibitor Inhibition 7.9 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Y253F)-phosphorylated Hs Inhibitor Inhibition 7.9 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-phosphorylated Hs Inhibitor Inhibition 7.8 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(M351T)-phosphorylated 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
EPH receptor B2 EphB2/EPHB2 Hs Inhibitor Inhibition 1.5
discoidin domain receptor tyrosine kinase 2 DDR2/DDR2 Hs Inhibitor Inhibition 1.8
ABL proto-oncogene 1, non-receptor tyrosine kinase Abl/ABL1 Hs Inhibitor Inhibition 3.5
ABL proto-oncogene 2, non-receptor tyrosine kinase Arg/ABL2(ARG) Hs Inhibitor Inhibition 4.9
EPH receptor B3 EphB3/EPHB3 Hs Inhibitor Inhibition 5.6
EPH receptor B1 EphB1/EPHB1 Hs Inhibitor Inhibition 10.6
EPH receptor A2 EphA2/EPHA2 Hs Inhibitor Inhibition 10.8
EPH receptor B4 EphB4/EPHB4 Hs Inhibitor Inhibition 11.4
B-Raf proto-oncogene, serine/threonine kinase nd/BRAF Hs Inhibitor Inhibition 11.5
EPH receptor A4 EphA4/EPHA4 Hs Inhibitor Inhibition 12.0
Displaying the top 10 targets  View all targets in screen »