Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Acecainidum
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCNCCNC(=O)c1ccc(NC(C)=O)cc1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
CC(=O)Nc1ccc(C(=O)NCCN)cc1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(=O)NC1=CC(=O)C(C(=O)NCCN)=CC1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.55
0.55
dealkylation
Probability 0.55
0.55
Gly-13c2-15n
dealkylation
Probability 0.55
0.55
Aminoacetaldehyde
dealkylation
Probability 0.55
0.55
Ethanolamine
dealkylation
Probability 0.23
0.23
Showing 5 of 14 metabolites
Show all