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)C1(CC(=O)OCC(=O)O)OC1(C)N2C(=O)c1ccc(Cl)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COc1ccc(NC(=O)c2ccc(Cl)cc2)c(C2(CC(=O)OCC(=O)O)OC2(C)O)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.
dna
Probability 0.42
0.42
glutathionation
Probability 0.26
0.26
protein
Probability 0.14
0.14
glutathionation
Probability 0.03
0.03
dna
Probability 0.03
0.03
Showing 5 of 16 metabolites
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