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)c2c(cc3c(c2[O-])C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC UGT Conjugation prediction

Generation 2

glucuronidation · 0.05

*OC12OC1C=CC1=C2C(=O)c2c(cc3c(c2[O-])C(OC2CC([NH+](C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O2)CC(O)(CC)C3C(=O)OC)C1=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|