Barasertibum

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Barasertibum Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)NC4=CC=CC5(F)OC45)[nH]n3)ncnc2c1)CCOP(=O)(O)O stable oxygenation prediction

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)NC4=CC=CC5(F)OC45)[nH]n3)ncnc2c1)CCOP(=O)(O)O unstable oxygenation prediction

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)NC4=CC=CC5(F)OC45)[nH]n3)ncnc2c1)CCOP(=O)(O)O dehydrogenation prediction

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)NC4=CC=CC5(F)OC45)[nH]n3)ncnc2c1)CCOP(=O)(O)O reduction prediction

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)NC4=CC=CC5(F)OC45)[nH]n3)ncnc2c1)CCOP(=O)(O)O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.