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In Vitro ADME Assays and In Vivo Extrapolations

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The ADME Encyclopedia

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Definition

A key goal of drug discovery is to optimize a new investigational drug’s physicochemical and absorption, distribution, metabolism, and excretion (ADME) properties through smart chemical design in order to achieve adequate exposure of the drug at the target site of action. This is a considerable balancing act, ensuring that the drug can be administered (preferably orally) at a reasonable dose and has good PK characteristics so that the drug exposure is at an appropriate therapeutic level and without efficacy or safety issues.

In vitro ADME assays provide crucial data about a drug’s properties early in the drug discovery process. These data may inform structural modifications and may offer opportunities to rank order and triage a chemical series to ensure development of an efficacious and safe drug. Understanding how the in vitro data may extrapolate to in vivo is an essential part of this process and allows for informed drug optimization and progression through the drug...

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Authors and Affiliations

  1. Cyprotex Discovery Ltd (an Evotec company), Cheshire, UK

    Philip Butler & Robert J. Riley

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  1. Philip Butler
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  2. Robert J. Riley
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Correspondence to Philip Butler .

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Editors and Affiliations

  1. University of La Plata (UNLP), Argentinian National Council of Scientific and Technical Research (CONICET), La Plata, Argentina

    Alan Talevi

Section Editor information

  1. Medicinal Chemistry, Department of Biological Sciences, Faculty of Exact Sciences, National University of la Plata (UNLP) - Argentinean National Council of Scientific and Technical Research (CONICET), La Plata, Buenos Aires, Argentina

    Alan Talevi

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Butler, P., Riley, R.J. (2022). In Vitro ADME Assays and In Vivo Extrapolations. In: Talevi, A. (eds) The ADME Encyclopedia. Springer, Cham. https://doi.org/10.1007/978-3-030-84860-6_141

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