Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
NC12OC1C(c1ccncc1)=CNC2=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC12OC1C(C1=CC=NC(=O)C1=O)=CNC2=O
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
NC12OC1C(C1=CC=NC(=O)C1)=CNC2=O
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.
dna
Probability 0.26
0.26
glutathionation
Probability 0.24
0.24
protein
Probability 0.16
0.16
protein
Probability 0.12
0.12
dna
Probability 0.11
0.11
Showing 5 of 8 metabolites
Show all