Alogliptin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alogliptin N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cn1c(=O)cc(NCC(N)CCC=O)n(Cc2ccccc2C#N)c1=O stable oxygenation prediction

Cn1c(=O)cc(NCC(N)CCC=O)n(Cc2ccccc2C#N)c1=O unstable oxygenation prediction

Cn1c(=O)cc(NCC(N)CCC=O)n(Cc2ccccc2C#N)c1=O dehydrogenation prediction

Cn1c(=O)cc(NCC(N)CCC=O)n(Cc2ccccc2C#N)c1=O reduction prediction

Cn1c(=O)cc(NCC(N)CCC=O)n(Cc2ccccc2C#N)c1=O hydrolysis prediction

Generation 2

dehydration · 0.17

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCC(N)CNc1cc(=O)n(C)c(=O)n1Cc1ccccc1C#N