unc-0638 and Pancreatic-Neoplasms

Detailed structure activity relationship of two series of quinazoline EHMT1/EHMT2 inhibitors (UNC0224 and UNC0638) have been elaborated. New and active alternatives are presented for the ubiquitous substitution patterns found in literature for the linker to the lysine mimicking region and the lysine mimic itself. These findings could allow for advancing EHMT1/EHMT2 inhibitors of that type beyond tool compounds by fine-tuning physicochemical properties making these inhibitors more drug-like. .

Topics: Binding Sites; Cell Line, Tumor; Drug Design; Enzyme Inhibitors; Histocompatibility Antigens; Histone-Lysine N-Methyltransferase; Histones; Humans; Inhibitory Concentration 50; Lysine; Molecular Docking Simulation; Pancreatic Neoplasms; Point Mutation; Quinazolines; Structure-Activity Relationship