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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C=c1c(=CC(=O)OCC(=O)O)c2c(n1C(=O)c1ccc(Cl)cc1)C=CC1(OC)OC21
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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 0.56
0.56
protein
Probability 0.40
0.40
dna
Probability 0.26
0.26
glutathionation
Probability 0.19
0.19
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