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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CCN1c2nc(C)ccc2C(=O)C2(C(=O)O)OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCN=C1N=C(C)C(=O)C=C1C(=O)C1(C(=O)O)CO1
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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.
dehydration
Probability 0.23
0.23
dehydration
Probability 0.23
0.23
15o
hydrogenation
Probability 0.23
0.23
oxygen reduction
Probability 0.23
0.23
dehydration
Probability 0.22
0.22
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