Barasertibum

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Barasertibum stable oxygenation prediction

Barasertibum unstable oxygenation prediction

Barasertibum dehydrogenation prediction

Barasertibum reduction prediction

Barasertibum hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)O)[nH]n3)ncnc2c1)CCOP(=O)(O)O N-Dealkylation prediction

Generation 2

2-(phosphonooxy)acetaldehyde

dealkylation · 0.68

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

2-(phosphonooxy)acetaldehyde