Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Alogliptin
Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Cn1c(=O)cc(N2CCCC(N)C2)n(CC2=C(C#N)C=CC3OC23)c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Cn1c(=O)cc(NCC(N)CCC(=O)O)n(CC2=C(C#N)C=CC3OC23)c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Show metabolites
Pdga
NC(CCC(=O)O)C(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.07
0.07
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((sup 13)n)ammonia
dealkylation
Probability 0.07
0.07
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Alpha-ketoglutaric acid-13c4
dealkylation
Probability 0.07
0.07
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(s)-2-hydroxyglutarate
dealkylation
Probability 0.03
0.03
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(11c)acetic acid
dealkylation
Probability 0.03
0.03
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Alanine
Showing 5 of 57 metabolites
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