Computer assisted structure-activity correlations. Evaluation of benzo(de)isoqinoline-1,3-diones and related compounds as antitumor agents.

Computer assisted evaluations of benzo(de)isoquinoline-1,3-diones and related compounds screened for antitumor activity against P388 lymphocytic leukemia and L1210 lymphoid leukemia are presented. Two important features necessary for good anticancer activity are the nature of the imide side-chain and the type of substituent on the aromatic portion. Based on these considerations 1H-benzo(de)isoquinoline-1,3(2H)dione,5-amino-2-(2-dimethyl-aminoethyl) (NSC 308847) has been selected for preclinical toxicology studies.