Almitrine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Almitrine Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=CCNc1nc(NCC=C)nc(N2CCN(C(C3=CC=C(F)C(=O)C3=O)c3ccc(F)cc3)CC2)n1 stable oxygenation prediction

C=CCNc1nc(NCC=C)nc(N2CCN(C(C3=CC=C(F)C(=O)C3=O)c3ccc(F)cc3)CC2)n1 unstable oxygenation prediction

C=CCNc1nc(NCC=C)nc(N2CCN(C(C3=CC=C(F)C(=O)C3=O)c3ccc(F)cc3)CC2)n1 dehydrogenation prediction

C=CCNc1nc(NCC=C)nc(N2CCN(C(C3=CC=C(F)C(=O)C3=O)c3ccc(F)cc3)CC2)n1 reduction prediction

C=CCNc1nc(NCC=C)nc(N2CCN(C(C3=CC=C(F)C(=O)C3=O)c3ccc(F)cc3)CC2)n1 hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 113 metabolites