Aripiprazole

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aripiprazole N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C(O)CN(CCNCCCCOc1ccc2c(c1)NC(=O)CC2)c1cccc(Cl)c1Cl UGT Conjugation prediction

Generation 2

glucuronidation · 0.99

*OC(=O)CN(CCNCCCCOc1ccc2c(c1)NC(=O)CC2)c1cccc(Cl)c1Cl |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|