Substrate
/
Generation 1
/
Generation 2
XenoSite
Acemetacin
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)C1=CC2OC2(Cl)C=C1
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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 2
Show metabolites
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C1=CC2OC2(Cl)C=C1
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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 0.38
0.38
glutathionation
Probability 0.37
0.37
dna
Probability 0.33
0.33
dna
Probability 0.33
0.33
glutathionation
Probability 0.22
0.22
Showing 5 of 16 metabolites
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