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

1. Pagano MA, Andrzejewska M, Ruzzene M, Sarno S, Cesaro L, Bain J, Elliott M, Meggio F, Kazimierczuk Z, Pinna LA. (2004)
Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole.
J. Med. Chem., 47 (25): 6239-47. [PMID:15566294]
2. Pagano MA, Meggio F, Ruzzene M, Andrzejewska M, Kazimierczuk Z, Pinna LA. (2004)
2-Dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole: a novel powerful and selective inhibitor of protein kinase CK2.
Biochem. Biophys. Res. Commun., 321 (4): 1040-4. [PMID:15358133]
3. Ulges A, Witsch EJ, Pramanik G, Klein M, Birkner K, B├╝hler U, Wasser B, Luessi F, Stergiou N, Dietzen S et al.. (2016)
Protein kinase CK2 governs the molecular decision between encephalitogenic TH17 cell and Treg cell development.
Proc. Natl. Acad. Sci. U.S.A., 113 (36): 10145-50. [PMID:27555590]