Substrate
/
Generation 1
/
Generation 2
XenoSite
Anagrelide
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
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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O=C1CN2CC3=C(N=C2N1)C1OC1C(Cl)=C3Cl
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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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OC1CN2CC3=C(N=C2N1)C1OC1C(Cl)=C3Cl
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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 0.47
0.47
dna
Probability 0.44
0.44
glutathionation
Probability 0.31
0.31
dna
Probability 0.18
0.18
protein
Probability 0.15
0.15
Showing 5 of 16 metabolites
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