fluvastatin

Ligand id: 2951

Name: fluvastatin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 82.69
Molecular weight 411.18
XLogP 4.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Boralli VB, Coelho EB, Sampaio SA, Marques MP, Lanchote VL. (2009)
Enantioselectivity in the pharmacokinetic interaction between fluvastatin and lercanidipine in healthy volunteers.
J Clin Pharmacol49 (2): 205-11. [PMID:19033449]
2. Carbonell T, Freire E. (2005)
Binding thermodynamics of statins to HMG-CoA reductase.
Biochemistry44 (35): 11741-8. [PMID:16128575]
3. Connolly PJ, Westin CD, Loughney DA, Minor LK. (1993)
HMG-CoA reductase inhibitors: design, synthesis, and biological activity of tetrahydroindazole-substituted 3,5-dihydroxy-6-heptenoic acid sodium salts.
J. Med. Chem.36 (23): 3674-85. [PMID:8246237]
4. Di Pietro G, Coelho EB, Geleilete TM, Marques MP, Lanchote VL. (2006)
Chiral evaluation of fluvastatin in human plasma by high-performance liquid chromatography electrospray mass spectrometry.
J. Chromatogr. B Analyt. Technol. Biomed. Life Sci.832 (2): 256-61. [PMID:16480934]
5. Holdgate GA, Ward WH, McTaggart F. (2003)
Molecular mechanism for inhibition of 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase by rosuvastatin.
Biochem. Soc. Trans.31 (Pt 3): 528-31. [PMID:12773150]
6. Hosoda S, Matsuda D, Tomoda H, Hashimoto M, Aoyama H, Hashimoto Y. (2009)
Application of a 3,3-diphenylpentane skeleton as a multi-template for creation of HMG-CoA reductase inhibitors.
Bioorg. Med. Chem. Lett.19 (15): 4228-31. [PMID:19502059]
7. Istvan ES, Deisenhofer J. (2001)
Structural mechanism for statin inhibition of HMG-CoA reductase.
Science292 (5519): 1160-4. [PMID:11349148]
8. Jendralla H, Granzer E, von Kerekjarto B, Krause R, Schacht U, Baader E, Bartmann W, Beck G, Bergmann A, Kesseler K. (1991)
Synthesis and biological activity of new HMG-CoA reductase inhibitors. 3. Lactones of 6-phenoxy-3,5-dihydroxyhexanoic acids.
J. Med. Chem.34 (10): 2962-83. [PMID:1656041]
9. McTaggart F, Buckett L, Davidson R, Holdgate G, McCormick A, Schneck D, Smith G, Warwick M. (2001)
Preclinical and clinical pharmacology of Rosuvastatin, a new 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitor.
Am. J. Cardiol.87 (5A): 28B-32B. [PMID:11256847]