compound 72 [WO2013026806]

Ligand id: 8166

Name: compound 72 [WO2013026806]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 112.02
Molecular weight 369.05
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Coutadeur S, Benyamine H, Delalonde L, de Oliveira C, Leblond B, Foucourt A, Besson T, Casagrande AS, Taverne T, Girard A et al.. (2015)
A novel DYRK1A (dual specificity tyrosine phosphorylation-regulated kinase 1A) inhibitor for the treatment of Alzheimer's disease: effect on Tau and amyloid pathologies in vitro.
J. Neurochem., 133 (3): 440-51. [PMID:25556849]
2. Ferrer I, Barrachina M, Puig B, Martínez de Lagrán M, Martí E, Avila J, Dierssen M. (2005)
Constitutive Dyrk1A is abnormally expressed in Alzheimer disease, Down syndrome, Pick disease, and related transgenic models.
Neurobiol. Dis., 20 (2): 392-400. [PMID:16242644]
3. Foucourt A, Hédou D, Dubouilh-Benard C, Girard A, Taverne T, Casagrande AS, Désiré L, Leblond B, Besson T. (2014)
Design and synthesis of thiazolo[5,4-f]quinazolines as DYRK1A inhibitors, part II.
Molecules, 19 (10): 15411-39. [PMID:25264830]
4. Kimura R, Kamino K, Yamamoto M, Nuripa A, Kida T, Kazui H, Hashimoto R, Tanaka T, Kudo T, Yamagata H et al.. (2007)
The DYRK1A gene, encoded in chromosome 21 Down syndrome critical region, bridges between beta-amyloid production and tau phosphorylation in Alzheimer disease.
Hum. Mol. Genet., 16 (1): 15-23. [PMID:17135279]
5. Leblond B, Casagrande A-S, Desire L, Foucourt A, Besson T. (2013)
Dyrk1 inhibitors and uses thereof.
Patent number: WO2013026806. Assignee: Exonhit Sa. Priority date: 19/08/2011. Publication date: 28/02/2013.
6. Park J, Song WJ, Chung KC. (2009)
Function and regulation of Dyrk1A: towards understanding Down syndrome.
Cell. Mol. Life Sci., 66 (20): 3235-40. [PMID:19685005]
7. Ryoo SR, Jeong HK, Radnaabazar C, Yoo JJ, Cho HJ, Lee HW, Kim IS, Cheon YH, Ahn YS, Chung SH et al.. (2007)
DYRK1A-mediated hyperphosphorylation of Tau. A functional link between Down syndrome and Alzheimer disease.
J. Biol. Chem., 282 (48): 34850-7. [PMID:17906291]