Nalidixic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nalidixic acid Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1=NC2=NC=C(C(=O)O)C(=O)C2=CC1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1=NC2=NC3OC3(C(=O)O)C(=O)C2=CC1=O UGT Conjugation prediction

Generation 3

glucuronidation · 0.98

*OC(=O)C12OC1N=C1N=C(C)C(=O)C=C1C2=O |$GlcA;;;;;;;;;;;;;;;;;$|