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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COC12C=Cc3c(c(CC(=O)OCC(=O)O)c(C)n3C(=O)c3ccc(Cl)cc3)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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4-chloranylbenzaldehyde
O=Cc1ccc(Cl)cc1
CHEBI
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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 0.43
0.43
protein
Probability 0.43
0.43
dna
Probability 0.34
0.34
dna
Probability 0.20
0.20
glutathionation
Probability 0.15
0.15
Showing 5 of 12 metabolites
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