Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Azaperone
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=C(CCCN1CCN(c2ccccn2)CC1)C1=CC2OC2(F)C=C1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=CC(=[N+]2CCN(CCCC(=O)C3=CC4OC4(F)C=C3)CC2)N=C1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=CC(=[N+]2CCNCC2)N=C1
Copy JSON
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.
glutathionation
Probability 0.74
0.74
protein
Probability 0.64
0.64
dna
Probability 0.60
0.60
protein
Probability 0.35
0.35
glutathionation
Probability 0.29
0.29
Showing 5 of 8 metabolites
Show all