Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Alectinib cation
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.[H+]
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3c(c1C2=O)C=CC1(C#N)OC31
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCC1=CC2=C(C(=O)C1=NCCC(CC)N1CCOCC1)C(C)(C)c1[nH]c3c(c1C2=O)C=CC1(C#N)OC31
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C1(C#N)C=Cc2c([nH]c3c2C(=O)C2=C(C(=O)C(=NCCC(CC)N4CCOCC4)C(CC)=C2)C3(C)C)C1O |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Copy JSON
dna · 0.11