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Drug discovery is the process by which new medications are discovered. It requires an integrated set of disciplines that work together to support the series of necessary activities to identify and validate drug targets, to design or discover the so-called chemical probes which establish a desired pharmacological effect from the target, therefore optimizing these probes to provide drug-like candidates which fulfill safety, quality, and efficacy for treatment of a disease. Multicomponent reaction (MCR) is a one-pot chemical reaction where at more than two components react to form a single product that fuses the atoms of the starting components. MCRs are flexible reactions for the rapid generation of complex molecules. Such molecules are often biologically relevant scaffold structures. Successful drug development relies on high efficiency and low cost, and short cycles of design-make-test, and therefore requires short and efficient synthetic sequences for lead discovery. MCRs are a unique tool that provides the opportunity to combine the entire above characteristic, as these reactions are atom ergonomic, step efficient, and have high exploratory power.