Substrate
Generation 1

Ursodeoxycholic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Ursodeoxycholic acid stable oxygenation prediction

Ursodeoxycholic acid unstable oxygenation prediction

Ursodeoxycholic acid dehydrogenation prediction

Ursodeoxycholic acid reduction prediction

Ursodeoxycholic acid hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(CCC(=O)O)C1CCC2C3C(O)CC4C(=O)C(O)CCC4(C)C3CCC12C N-Dealkylation prediction