Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Tenofovir
CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O
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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CC(CN1C(=O)N=C2C(N)=NC(=O)N=C21)OCP(=O)(O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC1=NC(=O)N=C2NC(=O)N=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC1=NC(=O)N=C2NC(=O)N3OC123
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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 4
Select a metabolite to form the next generation.
nitrogen reduction
Probability 0.59
0.59
epoxidation
Probability 0.16
0.16
dealkylation
Probability 0.15
0.15
dealkylation
Probability 0.05
0.05
hydrolysis
Probability 0.05
0.05
Showing 5 of 42 metabolites
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