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
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COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)C1=CC=C(Cl)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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COc1ccc(NC(=O)C2=CC=C(Cl)C3OC23)c(C(CC(=O)OCC(=O)O)=C(C)O)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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.82
0.82
hydrolysis
Probability 0.82
0.82
hydrolysis
Probability 0.82
0.82
Glycolic acid
dealkylation
Probability 0.37
0.37
Formaldehyde
dealkylation
Probability 0.37
0.37
Showing 5 of 144 metabolites
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