Nalidixic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nalidixic acid N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 stable oxygenation prediction

Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 unstable oxygenation prediction

Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 dehydrogenation prediction

Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 reduction prediction

Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cc1ccc2c(n1)NC=C(C(=O)O)C2O gsh prediction

Cc1ccc2c(n1)NC=C(C(=O)O)C2O protein prediction

Cc1ccc2c(n1)NC=C(C(=O)O)C2O cyanide prediction

Cc1ccc2c(n1)NC=C(C(=O)O)C2O dna prediction

Generation 3

glutathionation · 0.38

*C1Nc2nc(C)ccc2C(O)C1=C(O)O |$GSH;;;;;;;;;;;;;;;$|