Ligand id: 437

Name: AS101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 137.4
Molecular weight 524.23
XLogP 1.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Alcocer-Varela J, Alarcon-Segovia D, Sredni B, Albeck M. (1989)
Effect of the new immunoregulator AS-101 on in vitro functions of mononuclear cells from patients with systemic lupus erythematosus.
Clin. Exp. Immunol., 77 (3): 319-23. [PMID:2530012]
2. Brodsky M, Yosef S, Galit R, Albeck M, Longo DL, Albeck A, Sredni B. (2007)
The synthetic tellurium compound, AS101, is a novel inhibitor of IL-1beta converting enzyme.
J. Interferon Cytokine Res., 27 (6): 453-62. [PMID:17572009]
3. Halpert G, Sredni B. (2014)
The effect of the novel tellurium compound AS101 on autoimmune diseases.
Autoimmun Rev, 13 (12): 1230-5. [PMID:25153485]
4. Sredni B, Caspi RR, Klein A, Kalechman Y, Danziger Y, Ben Ya'akov M, Tamari T, Shalit F, Albeck M. (1987)
A new immunomodulating compound (AS-101) with potential therapeutic application.
Nature, 330 (6144): 173-6. [PMID:3118216]
5. Sredni-Kenigsbuch D, Shohat M, Shohat B, Ben-Amitai D, Chan CC, David M. (2008)
The novel tellurium immunomodulator AS101 inhibits interleukin-10 production and p38 MAPK expression in atopic dermatitis.
J. Dermatol. Sci., 50 (3): 232-5. [PMID:18242062]
6. Varani K, Gessi S, Merighi S, Vincenzi F, Cattabriga E, Benini A, Klotz KN, Baraldi PG, Tabrizi MA, Lennan SM, Leung E, Borea PA. (2005)
Pharmacological characterization of novel adenosine ligands in recombinant and native human A2B receptors.
Biochem Pharmacol, 70: 1601-1612. [PMID:16219300]
7. Xie L, Chen J, McMickle A, Awar N, Nady S, Sredni B, Drew PD, Yu S. (2014)
The immunomodulator AS101 suppresses production of inflammatory cytokines and ameliorates the pathogenesis of experimental autoimmune encephalomyelitis.
J. Neuroimmunol., 273 (1-2): 31-41. [PMID:24975323]