Ligand id: 9639

Name: AMG-8718

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 91.85
Molecular weight 442.14
XLogP 3.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dineen TA, Chen K, Cheng AC, Derakhchan K, Epstein O, Esmay J, Hickman D, Kreiman CE, Marx IE, Wahl RC et al.. (2014)
Inhibitors of β-site amyloid precursor protein cleaving enzyme (BACE1): identification of (S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718).
J. Med. Chem., 57 (23): 9811-31. [PMID:25363711]
2. Fielden MR, Werner J, Jamison JA, Coppi A, Hickman D, Dunn 2nd RT, Trueblood E, Zhou L, Afshari CA, Lightfoot-Dunn R. (2015)
Retinal Toxicity Induced by a Novel β-secretase Inhibitor in the Sprague-Dawley Rat.
Toxicol Pathol, 43 (4): 581-92. [PMID:25361751]
3. Ryan W. et al.. (2010)
Spiro-tetracyclic ring compounds as beta secretase modulators and methods of use.
Patent number: WO2010030954. Assignee: Amgen. Priority date: 11/09/2008. Publication date: 15/08/2017.