Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone stable oxygenation prediction

Amrinone unstable oxygenation prediction

Amrinone dehydrogenation prediction

Amrinone reduction prediction

Amrinone hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C=C=O)c1c[nH]c(=O)c(N)c1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C=C=O)C1=CNC(=O)C(=N)C1=O gsh prediction

N=CC=C(C=C=O)C1=CNC(=O)C(=N)C1=O protein prediction

N=CC=C(C=C=O)C1=CNC(=O)C(=N)C1=O cyanide prediction

N=CC=C(C=C=O)C1=CNC(=O)C(=N)C1=O dna prediction

Generation 3

Select a metabolite to form the next generation.