Substrate
/
Generation 1
/
Generation 2
XenoSite
Diclofenac
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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
2,6-dichloranilin
Nc1c(Cl)cccc1Cl
CHEBI
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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 2
Show metabolites
Nc1c(Cl)cc(O)cc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.55
0.55
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glutathionation
Probability 0.35
0.35
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protein
Probability 0.17
0.17
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cyanide
Probability 0.00
0.00
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