ruxolitinib

Ligand id: 5688

Name: ruxolitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 83.18
Molecular weight 306.16
XLogP 1.73
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: 1,5

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
Janus kinase 2 JAK2(JH1domain-catalytic) Hs Inhibitor Inhibition 10.4 pKd
tyrosine kinase 2 TYK2(JH1domain-catalytic) Hs Inhibitor Inhibition 9.1 pKd
Janus kinase 3 JAK3(JH1domain-catalytic) Hs Inhibitor Inhibition 8.7 pKd
Janus kinase 1 JAK1(JH1domain-catalytic) Hs Inhibitor Inhibition 8.5 pKd
mitogen-activated protein kinase kinase kinase 2 MAP3K2 Hs Inhibitor Inhibition 7.4 pKd
calcium/calmodulin-dependent protein kinase II alpha subunit CAMK2A Hs Inhibitor Inhibition 7.3 pKd
Rho associated coiled-coil containing protein kinase 2 ROCK2 Hs Inhibitor Inhibition 7.3 pKd
Rho associated coiled-coil containing protein kinase 1 ROCK1 Hs Inhibitor Inhibition 7.2 pKd
doublecortin like kinase 1 DCAMKL1 Hs Inhibitor Inhibition 7.2 pKd
death associated protein kinase 1 DAPK1 Hs Inhibitor Inhibition 7.1 pKd
Displaying the top 10 targets  View all targets in screen »