Ligand id: 9323

Name: DMAT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 31.92
Molecular weight 472.74
XLogP 3.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
CK2 inhibition prevents TH17 cell development and promotes Treg cell generation, confirming CK2 as a target for pharmaceutical intervention and development of novel treatments for TH17 cell-driven autoimmune diseases [3].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Casein kinase 2 Rn Inhibitor Inhibition 7.4 pKi -
pKi 7.4 (Ki 4x10-8 M)