Alogliptin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alogliptin Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN1C(=O)C(=O)C(=[N+]2CCCC(N)C2)N(Cc2ccccc2C#N)C1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN1C(=O)C(=O)C(=[N+]2CCCC(N)C2)N(CC2=CC3OC3C=C2C#N)C1=O stable oxygenation prediction

CN1C(=O)C(=O)C(=[N+]2CCCC(N)C2)N(CC2=CC3OC3C=C2C#N)C1=O unstable oxygenation prediction

CN1C(=O)C(=O)C(=[N+]2CCCC(N)C2)N(CC2=CC3OC3C=C2C#N)C1=O dehydrogenation prediction

CN1C(=O)C(=O)C(=[N+]2CCCC(N)C2)N(CC2=CC3OC3C=C2C#N)C1=O reduction prediction

CN1C(=O)C(=O)C(=[N+]2CCCC(N)C2)N(CC2=CC3OC3C=C2C#N)C1=O hydrolysis prediction

Generation 3

hydrogenation · 0.30

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN1C(=O)C(O)C(=[N+]2CCCC(N)C2)N(CC2=CC3OC3C=C2C#N)C1=O