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(C=CC4(Cl)OC34Cl)N=C2N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(CO)NC1=NC2=C(CN1)C1(Cl)OC1(Cl)C=C2
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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.
hydrolysis
Probability 0.56
0.56
hydrolysis
Probability 0.56
0.56
Glycolic acid
hydrolysis
Probability 0.56
0.56
Glycolaldehyde
oxidative dehalogenation
Probability 0.30
0.30
Acidum hydrochloricum
oxidative dehalogenation
Probability 0.30
0.30
Showing 5 of 74 metabolites
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