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

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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C(C=CO)=CC2NO2)c[nH]c1=O gsh prediction

Nc1cc(C(C=CO)=CC2NO2)c[nH]c1=O protein prediction

Nc1cc(C(C=CO)=CC2NO2)c[nH]c1=O cyanide prediction

Nc1cc(C(C=CO)=CC2NO2)c[nH]c1=O dna prediction

Generation 3

Select a metabolite to form the next generation.