Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Aripiprazole
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=C1CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc2N1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCCCN1CCN(C23C=CC=C(Cl)C2(Cl)O3)CC1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Show metabolites
CCCCN1CCNCC1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.45
0.45
Piperazine
dealkylation
Probability 0.45
0.45
Butyric acid
dealkylation
Probability 0.45
0.45
Butanal
dealkylation
Probability 0.45
0.45
Propyl carbinol
hydroxylation
Probability 0.20
0.20
Showing 5 of 39 metabolites
Show all