Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC=C(C=C(N)C(=O)O)c1ccncc1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC=C(C=C(N)C(=O)O)C1=CC2ON2C=C1 stable oxygenation prediction

NC=C(C=C(N)C(=O)O)C1=CC2ON2C=C1 unstable oxygenation prediction

NC=C(C=C(N)C(=O)O)C1=CC2ON2C=C1 dehydrogenation prediction

NC=C(C=C(N)C(=O)O)C1=CC2ON2C=C1 reduction prediction

NC=C(C=C(N)C(=O)O)C1=CC2ON2C=C1 hydrolysis prediction

Generation 3

Select a metabolite to form the next generation.