Adp

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adp stable oxygenation prediction

Adp unstable oxygenation prediction

Adp dehydrogenation prediction

Adp reduction prediction

Adp hydrolysis prediction

Generation 1

Alpha-adenosine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-adenosine N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CN(c1ncnc(N)c1O)C1OC(CO)C(O)C1O UGT Conjugation prediction

Generation 3

Select a metabolite to form the next generation.