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Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations

[Image: see text] Pan-Assay Interference Compounds (PAINS) are very familiar to medicinal chemists who have spent time fruitlessly trying to optimize these nonprogressible compounds. Electronic filters formulated to recognize PAINS can process hundreds and thousands of compounds in seconds and are i...

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Autores principales: Baell, Jonathan B., Nissink, J. Willem M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5778390/
https://www.ncbi.nlm.nih.gov/pubmed/29202222
http://dx.doi.org/10.1021/acschembio.7b00903
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author Baell, Jonathan B.
Nissink, J. Willem M.
author_facet Baell, Jonathan B.
Nissink, J. Willem M.
author_sort Baell, Jonathan B.
collection PubMed
description [Image: see text] Pan-Assay Interference Compounds (PAINS) are very familiar to medicinal chemists who have spent time fruitlessly trying to optimize these nonprogressible compounds. Electronic filters formulated to recognize PAINS can process hundreds and thousands of compounds in seconds and are in widespread current use to identify PAINS in order to exclude them from further analysis. However, this practice is fraught with danger because such black box treatment is simplistic. Here, we outline for the first time all necessary considerations for the appropriate use of PAINS filters.
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spelling pubmed-57783902018-01-25 Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations Baell, Jonathan B. Nissink, J. Willem M. ACS Chem Biol [Image: see text] Pan-Assay Interference Compounds (PAINS) are very familiar to medicinal chemists who have spent time fruitlessly trying to optimize these nonprogressible compounds. Electronic filters formulated to recognize PAINS can process hundreds and thousands of compounds in seconds and are in widespread current use to identify PAINS in order to exclude them from further analysis. However, this practice is fraught with danger because such black box treatment is simplistic. Here, we outline for the first time all necessary considerations for the appropriate use of PAINS filters. American Chemical Society 2017-12-04 2018-01-19 /pmc/articles/PMC5778390/ /pubmed/29202222 http://dx.doi.org/10.1021/acschembio.7b00903 Text en Copyright © 2017 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Baell, Jonathan B.
Nissink, J. Willem M.
Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
title Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
title_full Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
title_fullStr Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
title_full_unstemmed Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
title_short Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
title_sort seven year itch: pan-assay interference compounds (pains) in 2017—utility and limitations
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5778390/
https://www.ncbi.nlm.nih.gov/pubmed/29202222
http://dx.doi.org/10.1021/acschembio.7b00903
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