Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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1-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid
Nc1ccc(CCN2CCC(C(=O)O)(c3ccccc3)CC2)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC1=CC(=O)C(CCN2CCC(C(=O)O)(c3ccccc3)CC2)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC1=CC(=O)C(CCN2CCC(C(=O)O)(C3=CC=CC4OC34)CC2)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.43
0.43
protein
Probability 0.38
0.38
glutathionation
Probability 0.33
0.33
glutathionation
Probability 0.28
0.28
dna
Probability 0.22
0.22
Showing 5 of 16 metabolites
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