JAK3 inhibitor IV

Ligand id: 5994

Name: JAK3 inhibitor IV

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 331.19
XLogP 5.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
The potency of ZM39923 as a TGM2 inhibitor is significantly increased by the removal of DTT from the enzyme activity assay (IC50 at 10 mM DTT is 3 μM, compared to 10 nM without DTT) [4].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
transglutaminase 2 Hs Inhibitor Inhibition 8.0 pIC50 - 4
pIC50 8.0 (IC50 1x10-8 M) [4]
Description: In the absence of DTT.
Janus kinase 3 Hs Inhibitor Inhibition 7.1 pIC50 - 2
pIC50 7.1 (IC50 7.9x10-8 M) [2]
Janus kinase 1 Hs Inhibitor Inhibition 4.4 pIC50 - 2
pIC50 4.4 (IC50 3.981x10-5 M) [2]