barasertib-hQPA

Ligand id: 5663

Name: barasertib-hQPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 128.29
Molecular weight 507.24
XLogP 3.58
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: 1,5

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
mitogen-activated protein kinase kinase 5 MEK5 Hs Inhibitor Inhibition 8.6 pKd
fms related tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 8.4 pKd
aurora kinase C AURKC Hs Inhibitor Inhibition 8.4 pKd
aurora kinase B AURKB Hs Inhibitor Inhibition 8.3 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(V559D,T670I) Hs Inhibitor Inhibition 8.1 pKd
fms related tyrosine kinase 3 FLT3 Hs Inhibitor Inhibition 8.1 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(V559D) Hs Inhibitor Inhibition 7.8 pKd
KIT proto-oncogene receptor tyrosine kinase KIT Hs Inhibitor Inhibition 7.8 pKd
KIT proto-oncogene receptor tyrosine kinase KIT(L576P) Hs Inhibitor Inhibition 7.5 pKd
platelet derived growth factor receptor alpha PDGFRA Hs Inhibitor Inhibition 7.4 pKd
Displaying the top 10 targets  View all targets in screen »