compound 3 [PMID: 27347366]

Ligand id: 9337

Name: compound 3 [PMID: 27347366]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 20
Topological polar surface area 131
Molecular weight 630.38
XLogP 8.27
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Ghosh AK, Reddy BS, Yen YC, Cardenas E, Rao KV, Downs D, Huang X, Tang J, Mesecar AD. (2016)
Design of Potent and Highly Selective Inhibitors for Human β-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7: 3117-3122. [PMID:27347366]
2. Tang, J et al.. (2015)
Inhibition of memapsin 1 cleavage in the treatment of diabetes.
Patent number: US9096541. Assignee: Oklahoma Medical Research Foundation. Priority date: 03/11/2013. Publication date: 08/04/2015.