Substrate
/
Generation 1
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
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Generation 1
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O=C(O)Cc1ccccc1NC12OC1(Cl)C=CC=C2Cl
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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
Select a metabolite to form the next generation.
hydroxylation
Probability 0.20
0.20
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dealkylation
Probability 0.13
0.13
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2-amino-benzeneacetic acid
dealkylation
Probability 0.13
0.13
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hydrogenation
Probability 0.12
0.12
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epoxidation
Probability 0.07
0.07
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Showing 5 of 84 metabolites
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