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 gsh prediction

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

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

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

Generation 2

glutathionation · 0.07

*c1c(Cl)cccc1N(CCNCCCCOc1ccc2c(c1)NC(=O)CC2)CC(=O)O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|