Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Anagrelide
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
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
Show metabolites
O=C1CNC=C2C(=O)C(Cl)=CC=C2N=C(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
Show metabolites
O=C1CNC=C2C(=CC=C(Cl)C2O)N=C(O)N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.03
0.03
glutathionation
Probability 0.03
0.03
dna
Probability 0.02
0.02
cyanide
Probability 0.00
0.00