Lead Identification

Lead identification converts a confirmed hit, or a cluster of structurally related hits, into a validated lead series through an initial round of...

Lead identification converts a confirmed hit, or a cluster of structurally related hits, into a validated lead series through an initial round of structure–activity exploration, confirmation of the proposed mechanism of action, and preliminary assessment of selectivity against related targets. A lead compound is distinguished from a mere hit by possessing a defined, synthetically tractable structure–activity relationship (meaning that systematic chemical modification produces a predictable, interpretable change in biological activity), reasonable potency (typically low micromolar or better against the primary target), and the absence of obvious structural liabilities such as reactive functional groups or known toxicophores that would preclude further development.