Ligand id: 2717

Name: bardoxolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 95.23
Molecular weight 491.3
XLogP 6.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Dinkova-Kostova AT, Liby KT, Stephenson KK, Holtzclaw WD, Gao X, Suh N, Williams C, Risingsong R, Honda T, Gribble GW et al.. (2005)
Extremely potent triterpenoid inducers of the phase 2 response: correlations of protection against oxidant and inflammatory stress.
Proc. Natl. Acad. Sci. U.S.A.102 (12): 4584-9. [PMID:15767573]
2. Rojas-Rivera J, Ortiz A, Egido J. (2012)
Antioxidants in kidney diseases: the impact of bardoxolone methyl.
Int J Nephrol2012: 321714. [PMID:22701794]
3. Wang Y, Porter WW, Suh N, Honda T, Gribble GW, Leesnitzer LM, Plunket KD, Mangelsdorf DJ, Blanchard SG, Willson TM, Sporn MB. (2000)
A synthetic triterpenoid, 2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid (CDDO), is a ligand for the peroxisome proliferator-activated receptor gamma.
Mol. Endocrinol.14 (10): 1550-6. [PMID:11043571]
4. Wu J, Liu X, Fan J, Chen W, Wang J, Zeng Y, Feng X, Yu X, Yang X. (2014)
Bardoxolone methyl (BARD) ameliorates aristolochic acid (AA)-induced acute kidney injury through Nrf2 pathway.
Toxicology318: 22-31. [PMID:24530882]