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
About this model
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Generation 1
Show metabolites
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
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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
(<i>s</i>)-4-amino-5-oxopentanoic acid
NC(C=O)CCC(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.30
0.30
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glutathionation
Probability 0.29
0.29
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dna
Probability 0.17
0.17
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cyanide
Probability 0.08
0.08
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