Substrate
/
Generation 1
/
Generation 2
XenoSite
Anagrelide
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
CHEBI
Copy JSON
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
Copy JSON
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
Copy JSON
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 0.30
0.30
15o
dehydration
Probability 0.30
0.30
hydrogenation
Probability 0.30
0.30
oxygen reduction
Probability 0.30
0.30
hydrolysis
Probability 0.20
0.20
Showing 5 of 72 metabolites
Show all