Structure–activity relationship investigations probing the cytotoxicity of 9‐aminoacridine derivatives with PC3 and A549

9‐Aminoacridine structures hold much potential for accessing small molecule therapeutics. This core is present in a range of pharmaceuticals for the treatment of ailments such as malaria, inflammation, viral and bacterial infections, and cancer. For the latter, there remains a need to develop and/or improve chemotherapeutics to counteract issues of uptake, drug resistance, and selectivity for cancer cells over healthy cells. In the design of molecules to address these issues, identifying structural units that present as promising leads for drug development is key. In this study, four 9‐aminoacridine derivatives under consideration as precursors for a drug design project are assessed for their cytotoxicity with representative cell lines PC3 and A549 and for their leadlikeness with SwissADME. Together, the cytotoxicity and in silico investigations coalesce around the same derivative as the most promising lead. Four 9‐aminoacridine derivatives are assessed for their cytotoxicity and for their leadlikeness. Cytotoxicity and in silico investigations coalesce around the same derivative as the most promising lead.