Lead- and drug-like compounds: the rule-of-five revolution

Drug Discovery Today. Technologies
Christopher A Lipinski


Citations in CAS SciFinder to the rule-of-five (RO5) publication will exceed 1000 by year-end 2004. Trends in the RO5 literature explosion that can be discerned are the further definitions of drug-like. This topic is explored in terms of drug-like physicochemical features, drug-like structural features, a comparison of drug-like and non-drug-like in drug discovery and a discussion of how drug-like features relate to clinical success. Physicochemical features of CNS drugs and features related to CNS blood-brain transporter affinity are briefly reviewed. Recent literature on features of non-oral drugs is reviewed and how features of lead-like compounds differ from those of drug-like compounds is discussed. Most recently, partly driven by NIH roadmap initiatives, considerations have arisen as to what tool-like means in the search for chemical tools to probe biology space. All these topics frame the scope of this short review/perspective.:


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Oct 3, 2017·SAR and QSAR in Environmental Research·M ManalM J N Chandrasekar
Feb 17, 2018·SAR and QSAR in Environmental Research·U Saqib, M S Baig
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Oct 15, 2019·Journal of Biomolecular Structure & Dynamics·Shafi MahmudN Absar
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Sep 15, 2020·Journal of Biomolecular Structure & Dynamics·Oluwafemi Adeleke OjoAdewale O Fadaka
Sep 24, 2020·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Alexandre C OliveiraHugh D Burrows
Nov 7, 2019·Journal of Biomolecular Structure & Dynamics·Deepak KumarRajanish Giri
Oct 1, 2020·Drug Development Research·Julia PolettoFernanda A Rosa
Oct 2, 2020·Journal of Environmental Science and Health. Part A, Toxic/hazardous Substances & Environmental Engineering·Doaa A AbdelrheemSayed A Ahmed
Aug 6, 2020·The Journal of Biological Chemistry·Xiuhua LiuXiaochun Yu
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