Azabenzimidazole

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azabenzimidazole N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CNC1=CC=C=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CNC1=CC1OC1=O stable oxygenation prediction

N=C1N=CNC1=CC1OC1=O unstable oxygenation prediction

N=C1N=CNC1=CC1OC1=O dehydrogenation prediction

N=C1N=CNC1=CC1OC1=O reduction prediction

N=C1N=CNC1=CC1OC1=O hydrolysis prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CNC1=CC(O)C(=O)O gsh prediction

N=C1N=CNC1=CC(O)C(=O)O protein prediction

N=C1N=CNC1=CC(O)C(=O)O cyanide prediction

N=C1N=CNC1=CC(O)C(=O)O dna prediction

Generation 4

Select a metabolite to form the next generation.