Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=O)NC=C(c2ccncc2)C1=O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C(C(N)=O)C(=O)C(=CO)C12C=CN=CC1O2 stable oxygenation prediction

N=C(C(N)=O)C(=O)C(=CO)C12C=CN=CC1O2 unstable oxygenation prediction

N=C(C(N)=O)C(=O)C(=CO)C12C=CN=CC1O2 dehydrogenation prediction

N=C(C(N)=O)C(=O)C(=CO)C12C=CN=CC1O2 reduction prediction

N=C(C(N)=O)C(=O)C(=CO)C12C=CN=CC1O2 hydrolysis prediction

Generation 4

Select a metabolite to form the next generation.