Substrate
/
Generation 1
/
Generation 2
XenoSite
Acemetacin
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Cc1c(CC(=O)OCC(=O)O)c2c(n1C(=O)c1ccc(Cl)cc1)=CC(=O)C(=O)C=2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(NC(=O)c1ccc(Cl)cc1)=C(CC(=O)OCC(=O)O)C1=CC(=O)C(=O)C=C1O
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.
dna
Probability 0.01
0.01
protein
Probability 0.01
0.01
glutathionation
Probability 0.01
0.01
protein
Probability 0.00
0.00
glutathionation
Probability 0.00
0.00
Showing 5 of 8 metabolites
Show all