fenofibrate   Click here for help

GtoPdb Ligand ID: 7186

Synonyms: ABT-335 | Lipantil® | Supralip® | Tricor®
Approved drug PDB Ligand
fenofibrate is an approved drug (FDA (1993), EMA (2011))
Compound class: Synthetic organic
Comment: Fenofibrate is an antilipemic agent. Combination drug formulations often contain statins.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 52.6
Molecular weight 360.11
XLogP 5.33
No. Lipinski's rules broken 1
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Canonical SMILES CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C
Isomeric SMILES CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C
InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
1. Chuang S, Velkov T, Horne J, Porter CJ, Scanlon MJ. (2008)
Characterization of the drug binding specificity of rat liver fatty acid binding protein.
J Med Chem, 51 (13): 3755-64. [PMID:18533710]
2. Henke BR. (2004)
Peroxisome proliferator-activated receptor alpha/gamma dual agonists for the treatment of type 2 diabetes.
J Med Chem, 47 (17): 4118-27. [PMID:15293980]