vandetanib

Ligand id: 5717

Name: vandetanib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.51
Molecular weight 474.11
XLogP 4.17
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: 3,6

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
receptor interacting serine/threonine kinase 2 RIPK2 Hs Inhibitor Inhibition 8.3 pKd
epidermal growth factor receptor EGFR(E746-A750del) Hs Inhibitor Inhibition 8.3 pKd
epidermal growth factor receptor EGFR(G719S) Hs Inhibitor Inhibition 8.2 pKd
epidermal growth factor receptor EGFR(L747-S752del, P753S) Hs Inhibitor Inhibition 8.1 pKd
epidermal growth factor receptor EGFR(L858R) Hs Inhibitor Inhibition 8.1 pKd
epidermal growth factor receptor EGFR(L747-T751del,Sins) Hs Inhibitor Inhibition 8.1 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Y253F)-phosphorylated Hs Inhibitor Inhibition 8.1 pKd
epidermal growth factor receptor EGFR Hs Inhibitor Inhibition 8.0 pKd
epidermal growth factor receptor EGFR(G719C) Hs Inhibitor Inhibition 8.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(H396P)-nonphosphorylated Hs Inhibitor Inhibition 8.0 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
EPH receptor A6 nd/EPHA6 Hs Inhibitor Inhibition 3.3
LCK proto-oncogene, Src family tyrosine kinase Lck/LCK Hs Inhibitor Inhibition 3.6
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 3.9
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 6.6
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 7.3
LYN proto-oncogene, Src family tyrosine kinase Lyn/LYN Hs Inhibitor Inhibition 10.8
SRC proto-oncogene, non-receptor tyrosine kinase cSrc/c-SRC Hs Inhibitor Inhibition 11.0
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 11.3
ABL proto-oncogene 1, non-receptor tyrosine kinase Abl/ABL1 Hs Inhibitor Inhibition 11.7
kinase insert domain receptor KDR/KDR(VEGFR2) Hs Inhibitor Inhibition 12.6
Displaying the top 10 targets  View all targets in screen »