Substrate
/
Generation 1
/
Generation 2
XenoSite
Nalidixic acid
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
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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CCn1cc(C(=O)O)c(=O)c2c1=NC1(C)OC1C=2
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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
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CC12N=c3[nH]cc(C(=O)O)c(=O)c3=CC1O2
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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 0.49
0.49
glutathionation
Probability 0.38
0.38
dna
Probability 0.36
0.36
glutathionation
Probability 0.22
0.22
dna
Probability 0.18
0.18
Showing 5 of 16 metabolites
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