seladelpar   Click here for help

GtoPdb Ligand ID: 11137

Synonyms: compound 3r [PMID: 17524639] | MBX-8025 | MBX8025
Compound class: Synthetic organic
Comment: Seladelpar (MBX-8025) is a clinical stage, selective PPARδ agonist [3] that was initially developed as a therapy for atherogenic dyslipidemia and nonalcoholic steatohepatitis (NASH).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 90.29
Molecular weight 444.12
XLogP 5.14
No. Lipinski's rules broken 2
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Canonical SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O
Isomeric SMILES CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O
InChI InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
1. Bays HE, Schwartz S, Littlejohn 3rd T, Kerzner B, Krauss RM, Karpf DB, Choi YJ, Wang X, Naim S, Roberts BK. (2011)
MBX-8025, a novel peroxisome proliferator receptor-delta agonist: lipid and other metabolic effects in dyslipidemic overweight patients treated with and without atorvastatin.
J Clin Endocrinol Metab, 96 (9): 2889-97. [PMID:21752880]
2. Jones D, Boudes PF, Swain MG, Bowlus CL, Galambos MR, Bacon BR, Doerffel Y, Gitlin N, Gordon SC, Odin JA et al.. (2017)
Seladelpar (MBX-8025), a selective PPAR-δ agonist, in patients with primary biliary cholangitis with an inadequate response to ursodeoxycholic acid: a double-blind, randomised, placebo-controlled, phase 2, proof-of-concept study.
Lancet Gastroenterol Hepatol, 2 (10): 716-726. [PMID:28818518]
3. Zhang R, Wang A, DeAngelis A, Pelton P, Xu J, Zhu P, Zhou L, Demarest K, Murray WV, Kuo GH. (2007)
Discovery of para-alkylthiophenoxyacetic acids as a novel series of potent and selective PPARdelta agonists.
Bioorg Med Chem Lett, 17 (14): 3855-9. [PMID:17524639]