Substrate
/
Generation 1
/
Generation 2
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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Nc1ccc(CCN2CCC(C=O)(c3ccccc3)CC2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC12C=CC(CCN3CCC(C=O)(c4ccccc4)CC3)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.46
0.46
dna
Probability 0.42
0.42
glutathionation
Probability 0.40
0.40
protein
Probability 0.27
0.27
dna
Probability 0.18
0.18
Showing 5 of 12 metabolites
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