selumetinib

Ligand id: 5665

Name: selumetinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 88.41
Molecular weight 456
XLogP 3.7
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: 2,5

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
mitogen-activated protein kinase kinase 1 MEK1 Hs Inhibitor Inhibition 7.0 pKd
mitogen-activated protein kinase kinase 2 MEK2 Hs Inhibitor Inhibition 6.3 pKd
epidermal growth factor receptor EGFR(T790M) Hs Inhibitor Inhibition 5.7 pKd
AP2 associated kinase 1 AAK1 Hs Inhibitor Inhibition <5.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(E255K)-phosphorylated Hs Inhibitor Inhibition <5.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317I)-nonphosphorylated Hs Inhibitor Inhibition <5.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317I)-phosphorylated Hs Inhibitor Inhibition <5.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-nonphosphorylated Hs Inhibitor Inhibition <5.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-phosphorylated Hs Inhibitor Inhibition <5.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(H396P)-nonphosphorylated Hs Inhibitor Inhibition <5.5 pKd
Displaying the top 10 targets  View all targets in screen »