Substrate
/
Generation 1
/
Generation 2
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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NC1=NC23OC2(N=CN3C2C=CC(C(=O)O)C2)C(NC2CC2)=N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=CN(C1C=CC(C(=O)O)C1)C12N=C(N)N=C(NC3CC3)C1(O)O2
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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 0.60
0.60
glutathionation
Probability 0.39
0.39
protein
Probability 0.22
0.22
protein
Probability 0.07
0.07
glutathionation
Probability 0.07
0.07
Showing 5 of 8 metabolites
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