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Lipinski's Rule of Five
Lipinski's Rule of Five is a rule of thumb to evaluate druglikeness, or determine if a chemical compound with a certain pharmacological or biological activity has properties that would make it a likely orally active drug in humans. The rule was formulated by Christopher A. Lipinski in 1997, based on the observation that most medication drugs are relatively small and lipophilic molecules.[1] The rule describes molecular properties important for a drug's pharmacokinetics in the human body, including their absorption, distribution, metabolism, and excretion ("ADME"). However, the rule does not predict if a compound is pharmacologically active. The rule is important for drug development where a pharmacologically active lead structure is optimized step-wise for increased activity and selectivity, as well as drug-like properties as described by Lipinski's rule. The modification of the molecular structure often leads to drugs with higher molecular weight, more rings, more rotatable bonds, and a higher lipophilicity.[2] Additional recommended knowledge
The ruleLipinski's Rule of Five states that, in general, an orally active drug has:
Note that all numbers are multiples of five, which is the origin of the rule's name. ImprovementsTo evaluate druglikeness better, the rules have spawned many extensions, for example one from a 1999 paper by Ghose et al.:[3]
Over the past decade Lipinski's profiling tool for druglikeness has led to further investigations by scientists to extend profiling tools to lead-like properties of compounds in the hope that a better starting point in early discovery can save time and cost. See also
References
Categories: Medicinal chemistry | Pharmacology | Cheminformatics | Drug discovery |
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This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Lipinski's_Rule_of_Five". A list of authors is available in Wikipedia. |