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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stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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N-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid
Cc1c(Nc2ccccc2C(=O)O)ccc(O)c1Cl
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Cc1c(NC2=C(C(=O)O)C3OC3C=C2)ccc(O)c1Cl
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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 0.61
0.61
dna
Probability 0.34
0.34
glutathionation
Probability 0.32
0.32
glutathionation
Probability 0.16
0.16
protein
Probability 0.12
0.12
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