Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O stable oxygenation prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O unstable oxygenation prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O dehydrogenation prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O reduction prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2C=CN=CC2O)c[nH]c1=O N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC(O)C(C=CO)c1c[nH]c(=O)c(N)c1 UGT Conjugation prediction

Generation 4

Select a metabolite to form the next generation.