compound A127 [WO2013110309]

Ligand id: 8169

Name: compound A127 [WO2013110309]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 115.8
Molecular weight 408.2
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Brazeau JF, Rosse G. (2014)
Triazolo[4,5-d]pyrimidine Derivatives as Inhibitors of GCN2.
ACS Med Chem Lett, 5 (4): 282-3. [PMID:24900825]
2. Dorsch D, Hoelzemann G, Schiemann K, Wegener A. (2013)
Triazolo[4,5-d]pyrimidine derivatives.
Patent number: WO2013110309. Assignee: Merck Patent Gmbh. Priority date: 28/01/2012. Publication date: 01/08/2013.
3. Ye J, Kumanova M, Hart LS, Sloane K, Zhang H, De Panis DN, Bobrovnikova-Marjon E, Diehl JA, Ron D, Koumenis C. (2010)
The GCN2-ATF4 pathway is critical for tumour cell survival and proliferation in response to nutrient deprivation.
EMBO J., 29 (12): 2082-96. [PMID:20473272]