The first potent and selective hA1AR ligand based on the chromone scaffold is reported in this work. Receptor-driven molecular modeling studies provide valuable information about the molecular interactions responsible for the high affinity of N-(2-nitrophenyl)-4-oxo-4H-chromene-2-carboxamide to the hA1AR (Ki = 0.219 μM) and reinforce the crucial role of AR affinity of the amide linker located at C-2 of the pyrone ring.
