Ligand id: 6978

Name: semagacestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 98.74
Molecular weight 361.2
XLogP 0.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Doody RS, Raman R, Farlow M, Iwatsubo T, Vellas B, Joffe S, Kieburtz K, He F, Sun X, Thomas RG et al.. (2013)
A phase 3 trial of semagacestat for treatment of Alzheimer's disease.
N. Engl. J. Med., 369 (4): 341-50. [PMID:23883379]
2. Kreft AF, Martone R, Porte A. (2009)
Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease.
J. Med. Chem., 52 (20): 6169-88. [PMID:19694467]
3. Zhang Z, Nadeau P, Song W, Donoviel D, Yuan M, Bernstein A, Yankner BA. (2000)
Presenilins are required for gamma-secretase cleavage of beta-APP and transmembrane cleavage of Notch-1.
Nat. Cell Biol., 2 (7): 463-5. [PMID:10878814]