Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)C1=CC=C(c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)C2OC12 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(c2ccc(S(=O)(=O)O)cc2)C2=CC(=O)c3c(C4=CC=C(S(=O)(=O)O)C5OC45)ccnc3C2=N1 N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(C(=CC(=O)O)c2ccc(S(=O)(=O)O)cc2)=CC(=O)c2c(C3=CC=C(S(=O)(=O)O)C4OC34)ccnc21 UGT Conjugation prediction

Generation 4

Select a metabolite to form the next generation.

glucuronidation
0.76