Ligand id: 2667

Name: clofibrate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 35.53
Molecular weight 242.07
XLogP 3.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. 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]
2. Henke BR, Blanchard SG, Brackeen MF, Brown KK, Cobb JE, Collins JL, Harrington WW, Hashim MA, Hull-Ryde EA, Kaldor I, Kliewer SA, Lake DH, Leesnitzer LM, Lehmann JM, Lenhard JM, Orband-Miller LA, Miller JF, Mook RA, Noble SA, Oliver W, Parks DJ, Plunket KD, Szewczyk JR, Willson TM. (1998)
N-(2-Benzoylphenyl)-L-tyrosine PPARgamma agonists. 1. Discovery of a novel series of potent antihyperglycemic and antihyperlipidemic agents.
J. Med. Chem., 41 (25): 5020-36. [PMID:9836620]
3. Willson TM, Brown PJ, Sternbach DD, Henke BR. (2000)
The PPARs: from orphan receptors to drug discovery.
J. Med. Chem., 43 (4): 527-50. [PMID:10691680]