Structure-Activity Relationship Studies of Hydantoin-Cored Ligands for Smoothened Receptor.

Indeed, the halogen bioisostere‐substituted analogs, such as 3 e (4‐Me) and 3 f (4‐CF 3 ), also exhibited enhanced activities, suggesting a more important role of the hydrophobic over the halogen bond effect in this context. Similarly, evaluation of the 3‐halogen substituted compounds ( 4 a – 4 d ) also indicated a possible trend of classic halogen bonding (3‐F ( 4 a )>3‐Cl ( 4 b )>3‐Br ( 4 c )≈3‐I ( 4 d ), Table 2 ), albeit with slightly weaker potency when compared with that of their 4‐substituted counterparts.

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