A-674563

Ligand id: 5655

Name: A-674563

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 76.82
Molecular weight 358.18
XLogP 5.61
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: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
CDC like kinase 2 CLK2 Hs Inhibitor Inhibition 9.3 pKd
CDC like kinase 4 CLK4 Hs Inhibitor Inhibition 9.3 pKd
CDC like kinase 1 CLK1 Hs Inhibitor Inhibition 8.9 pKd
dual specificity tyrosine phosphorylation regulated kinase 1A DYRK1A Hs Inhibitor Inhibition 8.7 pKd
dual specificity tyrosine phosphorylation regulated kinase 1B DYRK1B Hs Inhibitor Inhibition 8.4 pKd
protein kinase C eta PRKCH Hs Inhibitor Inhibition 8.0 pKd
protein kinase C epsilon PRKCE Hs Inhibitor Inhibition 8.0 pKd
protein kinase C theta PRKCQ Hs Inhibitor Inhibition 7.9 pKd
citron rho-interacting serine/threonine kinase CIT Hs Inhibitor Inhibition 7.9 pKd
Protein kinase G (PKG) 2 PRKG2 Hs Inhibitor Inhibition 7.7 pKd
Displaying the top 10 targets  View all targets in screen »