Aripiprazole

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aripiprazole Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc2N1 gsh prediction

O=C1CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc2N1 protein prediction

O=C1CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc2N1 cyanide prediction

O=C1CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc2N1 dna prediction

Generation 2

glutathionation · 0.22

*C1(Cl)C(Cl)=CC=CC1(O)N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|