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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CC1=NC2=NC=C(C(=O)O)C(=O)C2=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC1=NC2=NC3OC3(C(=O)O)C(=O)C2=CC1=O
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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
hydrogenation
Probability 0.21
0.21
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