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)C(=O)C=C(Cl)C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1CNC(=NC2=C(C(=O)O)C(=O)C(Cl)=CC2=O)N1
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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 0.24
0.24
15o
dehydration
Probability 0.24
0.24
hydrogenation
Probability 0.24
0.24
oxygen reduction
Probability 0.24
0.24
dehydration
Probability 0.22
0.22
15o
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