Azodopa

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azodopa Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1N=NC1=CC(=O)C(=O)C(O)=C1 stable oxygenation prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C(=O)C(O)=C1 unstable oxygenation prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C(=O)C(O)=C1 dehydrogenation prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C(=O)C(O)=C1 reduction prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C(=O)C(O)=C1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1N=NC1=CCC(=O)C(O)=C1 gsh prediction

CN(C)CCc1ccccc1N=NC1=CCC(=O)C(O)=C1 protein prediction

CN(C)CCc1ccccc1N=NC1=CCC(=O)C(O)=C1 cyanide prediction

CN(C)CCc1ccccc1N=NC1=CCC(=O)C(O)=C1 dna prediction

Generation 3

Select a metabolite to form the next generation.