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Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would likely make it an orally active drug in humans.
A traditional method to evaluate druglikeness is to check compliance of Lipinski's rule of five, which covers the numbers of hydrophilic groups, molecular weight and hydrophobicity. Since the drug is transported in aqueous media like blood and intracellular fluid, it has to be sufficiently water-soluble in the absolute sense (i.e. must have a ...
Christopher A. Lipinski is a medicinal chemist who is working at Pfizer, Inc. [1] He is known for his "rule of five" , an algorithm that predicts drug compounds that are likely to have oral activity. [ 1 ]
The Supercomputing Facility for Bioinformatics and Computational Biology, (SCFBio), IIT Delhi, was established in July 2002 with funding from Department of Biotechnology under the guidance of Prof. B. Jayaram. It aims at developing novel scientific methods and new software for genome analysis, protein structure prediction, and in silico drug ...
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Especially the Lipinski's rule of five only estimates the oral bioavailability an nothing else! — Preceding unsigned comment added by 129.206.70.197 06:32, 9 October 2012 (UTC) Pharma. Medicinal Chemist (UK) Except if it needs to cross the blood-brain barrier. (Druglikeness is relevant, I mean, I don't know about Lipinski's rules).
The definitions of hydrogen bond donors and acceptors used to apply Lipinski's Rule of Five [6] are easily coded in SMARTS. Donors are defined as nitrogen or oxygen atoms that have at least one directly bonded hydrogen atom: [N,n,O;!H0] or [#7,#8;!H0] (aromatic oxygen cannot have a bonded hydrogen)
PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).