doramapimod

Ligand id: 5668

Name: doramapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 80.65
Molecular weight 527.29
XLogP 6.79
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: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
mitogen-activated protein kinase 14 p38-alpha Hs Inhibitor Inhibition 9.4 pKd
discoidin domain receptor tyrosine kinase 1 DDR1 Hs Inhibitor Inhibition 8.7 pKd
mitogen-activated protein kinase 12 p38-gamma Hs Inhibitor Inhibition 8.5 pKd
mitogen-activated protein kinase 11 p38-beta Hs Inhibitor Inhibition 8.1 pKd
mitogen-activated protein kinase 9 JNK2 Hs Inhibitor Inhibition 8.1 pKd
tyrosine kinase with immunoglobulin like and EGF like domains 1 TIE1 Hs Inhibitor Inhibition 8.1 pKd
serine/threonine kinase 10 LOK Hs Inhibitor Inhibition 7.9 pKd
TEK receptor tyrosine kinase TIE2 Hs Inhibitor Inhibition 7.7 pKd
discoidin domain receptor tyrosine kinase 2 DDR2 Hs Inhibitor Inhibition 7.5 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(T315I)-nonphosphorylated Hs Inhibitor Inhibition 7.2 pKd
Displaying the top 10 targets  View all targets in screen »