Ligand id: 7277

Name: probucol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 91.06
Molecular weight 516.31
XLogP 11.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brunham LR, Singaraja RR, Hayden MR. (2006)
Variations on a gene: rare and common variants in ABCA1 and their impact on HDL cholesterol levels and atherosclerosis.
Annu. Rev. Nutr., 26: 105-29. [PMID:16704350]
2. Favari E, Zanotti I, Zimetti F, Ronda N, Bernini F, Rothblat GH. (2004)
Probucol inhibits ABCA1-mediated cellular lipid efflux.
Arterioscler. Thromb. Vasc. Biol., 24 (12): 2345-50. [PMID:15514211]
3. Schmitz G, Langmann T. (2001)
Structure, function and regulation of the ABC1 gene product.
Curr. Opin. Lipidol., 12 (2): 129-40. [PMID:11264984]
4. Wu CA, Tsujita M, Hayashi M, Yokoyama S. (2004)
Probucol inactivates ABCA1 in the plasma membrane with respect to its mediation of apolipoprotein binding and high density lipoprotein assembly and to its proteolytic degradation.
J. Biol. Chem., 279 (29): 30168-74. [PMID:15140889]