pravastatin

Ligand id: 2953

Name: pravastatin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 124.29
Molecular weight 424.25
XLogP 2.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Carbonell T, Freire E. (2005)
Binding thermodynamics of statins to HMG-CoA reductase.
Biochemistry44 (35): 11741-8. [PMID:16128575]
2. 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]
3. Pfefferkorn JA, Choi C, Larsen SD, Auerbach B, Hutchings R, Park W, Askew V, Dillon L, Hanselman JC, Lin Z et al.. (2008)
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J. Med. Chem.51 (1): 31-45. [PMID:18072721]
4. Procopiou PA, Draper CD, Hutson JL, Inglis GG, Ross BC, Watson NS. (1993)
Inhibitors of cholesterol biosynthesis. 2. 3,5-Dihydroxy-7-(N-pyrrolyl)-6-heptenoates, a novel series of HMG-CoA reductase inhibitors.
J. Med. Chem.36 (23): 3658-62. [PMID:8246234]
5. Sliskovic DR, Blankley CJ, Krause BR, Newton RS, Picard JA, Roark WH, Roth BD, Sekerke C, Shaw MK, Stanfield RL. (1992)
Inhibitors of cholesterol biosynthesis. 6. trans-6-[2-(2-N-heteroaryl-3,5-disubstituted- pyrazol-4-yl)ethyl/ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-ones.
J. Med. Chem.35 (11): 2095-103. [PMID:1597859]
6. Suzuki M, Iwasaki H, Fujikawa Y, Sakashita M, Kitahara M, Sakoda R. (2001)
Synthesis and biological evaluations of condensed pyridine and condensed pyrimidine-based HMG-CoA reductase inhibitors.
Bioorg. Med. Chem. Lett.11 (10): 1285-8. [PMID:11392538]