N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]chroman-3-Carboxamide as Antitumor Agent. Synthesis, ADME-Tox Parameters, Prediction of Metabolism Pathway and Biological Activity

It was synthesized N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]chroman-3-carboxamide. The structure of the title compound was confirmed by 1H NMR spectroscopy and elemental analysis. The synthesized compound complies with Lipinski, Muegge, Ghose, Veber, and Egan rules. ADME and toxicity of the compound are analyzed, and Swiss target prediction of the compound has been carried out to analyze the preferred target. The title compound exhibited remarkable anticancer activity against all the tested cell lines and was more active than classical anticancer drugs – gefitinib, 5-fluorouracil, cisplatin, and curcumin. The metabolic pathway mediated by Cytochrome P450 was evaluated for the title compound. It was found that the main pathways are aromatic hydroxylation of fused benzene ring, which should not cause toxic effects.