Substrate
/
Generation 1
/
Generation 2
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=C(O)CN(CCNCCCCOc1ccc2c(c1)NC(=O)CC2)c1cccc(Cl)c1Cl
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)CN(CCNCCCCOc1ccc2c(c1)=NC(=O)CC=2)c1cccc(Cl)c1Cl
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.55
0.55
protein
Probability 0.23
0.23
dna
Probability 0.08
0.08
dna
Probability 0.07
0.07
protein
Probability 0.04
0.04
Showing 5 of 12 metabolites
Show all