Aristada

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aristada stable oxygenation prediction

Aristada unstable oxygenation prediction

Aristada dehydrogenation prediction

Aristada reduction prediction

Aristada hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCC=O)cc21 Quinonation prediction

Generation 2

Butanal

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Butanal gsh prediction

Butanal protein prediction

Butanal cyanide prediction

Butanal dna prediction

Generation 3

glutathionation · 0.37

*C(O)CCC |$GSH;;;;;$|