Ligand id: 4919

Name: eritoran

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 21
Hydrogen bond donors 7
Rotatable bonds 61
Topological polar surface area 313.25
Molecular weight 1312.84
XLogP 16.43
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

1. Barochia A, Solomon S, Cui X, Natanson C, Eichacker PQ. (2011)
Eritoran tetrasodium (E5564) treatment for sepsis: review of preclinical and clinical studies.
Expert Opin Drug Metab Toxicol, 7 (4): 479-94. [PMID:21323610]
2. Ingalls RR, Monks BG, Savedra R, Christ WJ, Delude RL, Medvedev AE, Espevik T, Golenbock DT. (1998)
CD11/CD18 and CD14 share a common lipid A signaling pathway.
J. Immunol., 161 (10): 5413-20. [PMID:9820516]
3. Tidswell M, Tillis W, Larosa SP, Lynn M, Wittek AE, Kao R, Wheeler J, Gogate J, Opal SM, Eritoran Sepsis Study Group. (2010)
Phase 2 trial of eritoran tetrasodium (E5564), a toll-like receptor 4 antagonist, in patients with severe sepsis.
Crit. Care Med., 38 (1): 72-83. [PMID:19661804]