suvorexant

Ligand id: 2890

Name: suvorexant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 80.29
Molecular weight 450.16
XLogP 4.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Cox CD, Breslin MJ, Whitman DB, Schreier JD, McGaughey GB, Bogusky MJ, Roecker AJ, Mercer SP, Bednar RA, Lemaire W, Bruno JG, Reiss DR, Harrell CM, Murphy KL, Garson SL, Doran SM, Prueksaritanont T, Anderson WB, Tang C, Roller S, Cabalu TD, Cui D, Hartman GD, Young SD, Koblan KS, Winrow CJ, Renger JJ, Coleman PJ. (2010)
Discovery of the dual orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia.
J. Med. Chem.53 (14): 5320-32. [PMID:20565075]
2. de Lecea L and Sutcliffe JG. (2013)
Hypocretins (Orexins).  in  Handbook of Biologically Active Peptides 2nd edition
Edited by Kastin A Academic Press. 812  [ISBN:9780123850966]
3. Li J, Hu Z, de Lecea L. (2014)
The hypocretins/orexins: integrators of multiple physiological functions.
Br. J. Pharmacol.171 (2): 332-50. [PMID:24102345]
4. Winrow CJ, Gotter AL, Cox CD, Doran SM, Tannenbaum PL, Breslin MJ, Garson SL, Fox SV, Harrell CM, Stevens J et al.. (2011)
Promotion of sleep by suvorexant-a novel dual orexin receptor antagonist.
J. Neurogenet.25 (1-2): 52-61. [PMID:21473737]