Substrate
/
Generation 1
/
Generation 2
XenoSite
Tolfenamic acid
Cc1c(Cl)cccc1Nc1ccccc1C(=O)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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Cc1c(O)cccc1Cl
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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
3-chlorocatechol
Oc1cccc(Cl)c1O
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 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.13
0.13
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hydroxylation
Probability 0.13
0.13
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6-chlorobenzene-1,2,4-triol
hydroxylation
Probability 0.06
0.06
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dehydrogenation
Probability 0.03
0.03
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epoxidation
Probability 0.03
0.03
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Showing 5 of 40 metabolites
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