compound 1a [PMID: 25692029]

Ligand id: 9091

Name: compound 1a [PMID: 25692029]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 139.53
Molecular weight 418.17
XLogP 3.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bonnard E, Poras H, Nadal X, Maldonado R, Fournié-Zaluski MC, Roques BP. (2015)
Long-lasting oral analgesic effects of N-protected aminophosphinic dual ENKephalinase inhibitors (DENKIs) in peripherally controlled pain.
Pharmacol Res Perspect3 (2): e00116. [PMID:25692029]
2. Chen H, Noble F, Roques BP, Fournié-Zaluski MC. (2001)
Long lasting antinociceptive properties of enkephalin degrading enzyme (NEP and APN) inhibitor prodrugs.
J. Med. Chem.44 (21): 3523-30. [PMID:11585456]
3. Tholander F, Muroya A, Roques BP, Fournié-Zaluski MC, Thunnissen MM, Haeggström JZ. (2008)
Structure-based dissection of the active site chemistry of leukotriene A4 hydrolase: implications for M1 aminopeptidases and inhibitor design.
Chem. Biol.15 (9): 920-9. [PMID:18804029]