Pan-assay interference compounds (PAINS) are chemical compounds that often give false positive results in high-throughput screens. PAINS tend to react nonspecifically with numerous biological targets rather than specifically affecting one desired target. A number of disruptive functional groups are shared by many PAINS. While a number of filters have been proposed and are used in virtual screening and computer-aided drug design, the accuracy of filters with regard to compounds they flag and don't flag has been criticized. Common PAINS include toxoflavin, isothiazolones, hydroxyphenyl hydrazones, curcumin, phenol-sulfonamides, rhodanines, enones, quinones, and catechols such as luteolin, baicalin and scutellarin.
See also Drug discovery
References
Further reading Yang JJ, Ursu O, Lipinski CA, Sklar LA, Oprea TI, Bologa CG (2016). "Badapple: promiscuity patterns from noisy evidence". Journal of Cheminformatics. 8: 29. doi:10.1186/s13321-016-0137-3. PMC 4884375. PMID 27239230. Ringer JA, Lambert CG, Bradfute SB, Bologa CG, Yang JJ (2025). "Badapple 2.0: An Empirical Predictor of Compound Promiscuity, Updated, Modernized, and Enhanced for Explainability". Journal of Chemical Information and Modeling. doi:10.1021/acs.jcim.5c02297. PMID 41235766. Badapple databases

