Lead compound:
      In 
drug
      discovery, a compound that shows some interesting biological
      activity. The 
molecular
        structure of the lead compound is then varied -- perhaps
      through a 
chemical
        library -- to find compounds that have better activity
      and/or less side effects.
    
 
    Molecule
      A is a (hypothetical) lead compound, having some interesting
      activity. 
Molecule
      A was modified to give 
molecule
      B, which has better activity and selectivity than 
molecule
      A. Further changes and refinements of 
molecular
        structure (
molecule
      C, 
molecule
      D, etc.) ultimately resulted in the final 
drug
      having the best potency, selectivity, and other desirable
      features.