Aclacinomycin s

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aclacinomycin s Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=C(C([O-])=C3C2=O)C2(O)OC2C=C4)C1C(=O)OC UGT Conjugation prediction

Generation 2

glucuronidation · 0.03

*OC12OC1C=CC1=C2C([O-])=C2C(=O)C3=C(C=C2C1=O)C(C(=O)OC)C(O)(CC)CC3OC1CC([NH+](C)C)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|