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=C1Cn2cc3c(=O)c(Cl)ccc-3nc2N1
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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(O)C(=O)Nc1nc2ccc(Cl)c(=O)c-2c[nH]1
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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 0.41
0.41
hydrolysis
Probability 0.41
0.41
Oxalic acid
hydrolysis
Probability 0.41
0.41
Glyoxylic acid
dehydration
Probability 0.07
0.07
15o
dehydration
Probability 0.07
0.07
Showing 5 of 71 metabolites
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