Substrate
/
Generation 1
/
Generation 2
XenoSite
Alogliptin
Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(N)CCCN=C1C(=O)C(=O)N(C)C(=O)N1Cc1ccccc1C#N
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
4r-aminopentanoic acid
CC(N)CCC(=O)O
CHEBI
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.19
0.19
Laevulinic acid
dealkylation
Probability 0.19
0.19
4-hydroxy-valeric acid
dealkylation
Probability 0.19
0.19
((sup 13)n)ammonia
nitrogen oxidation
Probability 0.09
0.09
nitrogen oxidation
Probability 0.09
0.09
Showing 5 of 38 metabolites
Show all