Azilsartan

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azilsartan Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3noc(=O)[nH]3)cc1)=C(C(=O)O)C1OC1C=2 stable oxygenation prediction

CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3noc(=O)[nH]3)cc1)=C(C(=O)O)C1OC1C=2 unstable oxygenation prediction

CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3noc(=O)[nH]3)cc1)=C(C(=O)O)C1OC1C=2 dehydrogenation prediction

CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3noc(=O)[nH]3)cc1)=C(C(=O)O)C1OC1C=2 reduction prediction

CCOc1nc2c(n1Cc1ccc(-c3ccccc3-c3noc(=O)[nH]3)cc1)=C(C(=O)O)C1OC1C=2 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C(O)C1=c2c(nc(O)n2Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)=CC2OC12 Epoxidation prediction

Generation 3

epoxidation · 0.04

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C(O)C1=C2N(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)C(O)=NC23OC3C2OC12