Ligand id: 7536

Name: eliglustat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 71.03
Molecular weight 404.27
XLogP 3.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Larsen SD, Wilson MW, Abe A, Shu L, George CH, Kirchhoff P, Showalter HD, Xiang J, Keep RF, Shayman JA. (2012)
Property-based design of a glucosylceramide synthase inhibitor that reduces glucosylceramide in the brain.
J. Lipid Res., 53 (2): 282-91. [PMID:22058426]
2. Lukina E, Watman N, Arreguin EA, Dragosky M, Iastrebner M, Rosenbaum H, Phillips M, Pastores GM, Kamath RS, Rosenthal DI et al.. (2010)
Improvement in hematological, visceral, and skeletal manifestations of Gaucher disease type 1 with oral eliglustat tartrate (Genz-112638) treatment: 2-year results of a phase 2 study.
Blood, 116 (20): 4095-8. [PMID:20713962]
3. Lukina E, Watman N, Dragosky M, Pastores GM, Arreguin EA, Rosenbaum H, Zimran A, Angell J, Ross L, Puga AC et al.. (2014)
Eliglustat, an investigational oral therapy for Gaucher disease type 1: Phase 2 trial results after 4 years of treatment.
Blood Cells Mol. Dis., 53 (4): 274-6. [PMID:24835462]