Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Action
COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
COC(=O)CS(=O)c1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COC(=O)CS(=O)C1=CC(N=c2sc(=O)n3n2CCCC3)=C(F)C(=O)C1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
COC(=O)CS(=O)C1=CC(N2OC23SC(=O)N2CCCCN23)=C(F)C(=O)C1=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.
glutathionation
Probability 0.65
0.65
protein
Probability 0.61
0.61
dna
Probability 0.37
0.37
dna
Probability 0.19
0.19
protein
Probability 0.16
0.16
Showing 5 of 8 metabolites
Show all