Quantitative structure-activity relationships of purines II: Prediction of activity against adenocarcinoma CA755 and toxicity in mice.
Quantitative structure-activity relationships (QSAR) were derived for a number of 2,6-mono- and disubstituted purines. The derived equations relate the anticancer activity in murine Adenocarcinoma CA755 to the molar refractivity of substituents at position 2 and electron-withdrawing effects of substituents at position 6. A QSAR was also derived for the acute toxicity (LD50) of substituents at position 6. The results suggest that toxicity is relatively independent of the nature of the substituent.
D000230:Adenocarcinoma / Q000188:drug therapy*; D000818:Animals; D000970:Antineoplastic Agents; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D051379:Mice; D009374:Neoplasms, Experimental / Q000188:drug therapy; D011687:Purines / Q000494:pharmacology* / Q000633:toxicity; D013329:Structure-Activity Relationship
D000970:Antineoplastic Agents; D011687:Purines