Alogliptin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alogliptin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cn1c(=O)cc(N2CCCC(N)C2)n(CC2=C(C#N)C=CC3OC23)c1=O stable oxygenation prediction

Cn1c(=O)cc(N2CCCC(N)C2)n(CC2=C(C#N)C=CC3OC23)c1=O unstable oxygenation prediction

Cn1c(=O)cc(N2CCCC(N)C2)n(CC2=C(C#N)C=CC3OC23)c1=O dehydrogenation prediction

Cn1c(=O)cc(N2CCCC(N)C2)n(CC2=C(C#N)C=CC3OC23)c1=O reduction prediction

Cn1c(=O)cc(N2CCCC(N)C2)n(CC2=C(C#N)C=CC3OC23)c1=O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N#CC1=C(Cn2c(N3CCCC(N)C3)cc(=O)[nH]c2=O)C2OC2C=C1 N-Dealkylation prediction

Generation 3

dealkylation · 0.92

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N#CC1=C(Cn2c(NCC(N)CCC=O)cc(=O)[nH]c2=O)C2OC2C=C1