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

O=c1[nH]cc(C2C=CN=CC2O)cc1O Quinonation prediction

Generation 4

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(C2C=CN=CC2O)C(=O)NC1=O UGT Conjugation prediction

Generation 5

Maximum generation reached — metabolites here can't start another hop.

glucuronidation
0.94