gemfibrozil

Ligand id: 3439

Name: gemfibrozil

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.53
Molecular weight 250.16
XLogP 3.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. De Filippis B, Giancristofaro A, Ammazzalorso A, D'Angelo A, Fantacuzzi M, Giampietro L, Maccallini C, Petruzzelli M, Amoroso R. (2011)
Discovery of gemfibrozil analogues that activate PPARα and enhance the expression of gene CPT1A involved in fatty acids catabolism.
Eur J Med Chem46 (10): 5218-24. [PMID:21889235]
2. Noé J, Portmann R, Brun ME, Funk C. (2007)
Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting peptide (OATP) substrates on OATP1B1, OATP2B1, and OATP1B3.
Drug Metab. Dispos.35 (8): 1308-14. [PMID:17470528]