Ligand id: 7358

Name: E2012

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 47.36
Molecular weight 419.2
XLogP 5.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Nagy C., Schuck E , Ishibashi A et al. (2010)
E2012, a novel gamma-secretase modulator, decreases plasma amyloid-beta (Aβ) levels in humans.
Alzheimer's & Dementia: The Journal of the Alzheimer's Association, 6 (4): S574.
2. Nakano-Ito K, Fujikawa Y, Hihara T, Shinjo H, Kotani S, Suganuma A, Aoki T, Tsukidate K. (2014)
E2012-induced cataract and its predictive biomarkers.
Toxicol. Sci., 137 (1): 249-58. [PMID:24085193]