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Related Experiment Videos

LogP, a yesterday's value?

Chrysoula Vraka1, Lukas Nics1, Karl-Heinz Wagner2

  • 1Department of Biomedical Imaging and Image-guided Therapy, Division of Nuclear Medicine, Medical University of Vienna, Vienna, Austria; Department for Nutritional Science, University of Vienna, Vienna, Austria.

Nuclear Medicine and Biology
|April 2, 2017
PubMed
Summary

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Lipophilicity measurements using logP are unreliable for predicting blood-brain barrier penetration in radiotracer development. A new database offers a reliable comparison for preclinical studies.

Area of Science:

  • Pharmacology
  • Medicinal Chemistry
  • Radiochemistry

Background:

  • Increasing demand for high-throughput methods in preclinical radioligand development to predict pharmacokinetic properties and blood-brain barrier (BBB) penetration.
  • Lipophilicity, measured by logP (shake-flask or HPLC), is a key physicochemical property, but experimental methods yield inconsistent results, hindering reliable comparisons.
  • A standardized, internationally accepted database for radiotracer lipophilicity is currently lacking.

Purpose of the Study:

  • To evaluate the reliability of logP determination for predicting BBB penetration in radioligand development.
  • To establish a comprehensive database of lipophilicity values for radiotracers to aid preclinical studies.
  • To critically assess the eligibility of logP as a predictive measure for brain uptake.
Keywords:
Blood brain barrierDatabaseHPLC logPLipophilicityRadioligand &-tracer

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Main Methods:

  • Lipophilicity was measured for 121 molecules using a high-throughput HPLC method.
  • ClogP values were calculated using ChemBioDraw® for all compounds.
  • LogP was determined for six radiotracers using the conventional shake-flask method and compared with HPLC and ClogP results.

Main Results:

  • HPLC method yielded lipophilicity values ranging from -2.1 to 5.4.
  • Calculated ClogP values ranged from -4.11 to 6.12.
  • LogP data from different methods were not comparable, and correlations to BBB penetration thresholds resulted in numerous false positive classifications.

Conclusions:

  • LogP determination is an obsolete method for predicting BBB penetration.
  • The developed database, including clinical radiotracers, provides a valuable comparative dataset for preclinical research.
  • The findings support further critical evaluation of logP's utility in radiotracer development.