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 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=O)NC=C(C2=CC=NC3OC23)C1=O stable oxygenation prediction

N=C1C(=O)NC=C(C2=CC=NC3OC23)C1=O unstable oxygenation prediction

N=C1C(=O)NC=C(C2=CC=NC3OC23)C1=O dehydrogenation prediction

N=C1C(=O)NC=C(C2=CC=NC3OC23)C1=O reduction prediction

N=C1C(=O)NC=C(C2=CC=NC3OC23)C1=O hydrolysis prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1CC(C2=CC=NC3OC23)=CNC1=O N-Dealkylation prediction

Generation 4

Select a metabolite to form the next generation.