compound 35 [PMID: 24157366]

Ligand id: 8554

Name: compound 35 [PMID: 24157366]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.46
Molecular weight 585.12
XLogP 6.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Debenham JS, Graham TH, Verras A, Zhang Y, Clements MJ, Kuethe JT, Madsen-Duggan C, Liu W, Bhatt UR, Chen D et al.. (2013)
Discovery and optimization of orally active cyclohexane-based prolylcarboxypeptidase (PrCP) inhibitors.
Bioorg. Med. Chem. Lett., 23 (23): 6228-33. [PMID:24157366]
2. Shen DM, Debenham TH, Graham TH, Clements MJ, Zhang Y. (2014)
Prolylcarboxypeptidase inhibitors.
Patent number: US8669252. Assignee: Merck Sharp & Dohme Corp.. Priority date: 17/05/2010. Publication date: 11/04/2014.