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Literature summary for 3.1.1.1 extracted from

  • Zhu, H.J.; Appel, D.I.; Peterson, Y.K.; Wang, Z.; Markowitz, J.S.
    Identification of selected therapeutic agents as inhibitors of carboxylesterase 1: potential sources of metabolic drug interactions (2010), Toxicology, 270, 59-65.
    View publication on PubMed

Application

Application Comment Organism
drug development the major human hepatic hydrolase, carboxylesterase 1 serves as a target of metabolic inhibition by a variety of medications Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine
-
Homo sapiens
aripiprazole
-
Homo sapiens
atomoxetine
-
Homo sapiens
clozapine
-
Homo sapiens
fluoxetine
-
Homo sapiens
haloperidol
-
Homo sapiens
imipramine
-
Homo sapiens
additional information no inhibition by clonidine, phenylephrine, risperidone, and paliperidone. Quantitative structure-activity relationship of potential inhibitors, molecular modeling of, overview. Drug-drug interactions with substrate methylphenidate, overview Homo sapiens
n-desmethylclozapine
-
Homo sapiens
olanzapine
-
Homo sapiens
perphenazine
-
Homo sapiens
quetiapine
-
Homo sapiens
thioridazine
-
Homo sapiens
ziprasidone
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4-nitrophenyl acetate + H2O
-
Homo sapiens 4-nitrophenol + acetate
-
?
D-methylphenidate + H2O
-
Homo sapiens methanol + phenyl(piperidin-2-yl)acetate
-
?
DL-methylphenidate + H2O
-
Homo sapiens methanol + phenyl(piperidin-2-yl)acetate
-
?

Synonyms

Synonyms Comment Organism
carboxylesterase 1
-
Homo sapiens
CES1
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00338
-
versus substrate 4-nitrophenyl acetate Homo sapiens olanzapine
0.00359
-
versus substrate 4-nitrophenyl acetate Homo sapiens haloperidol
0.00372
-
versus substrate 4-nitrophenyl acetate Homo sapiens imipramine
0.00399
-
versus substrate 4-nitrophenyl acetate Homo sapiens n-desmethylclozapine
0.00402
-
versus substrate 4-nitrophenyl acetate Homo sapiens 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine
0.00407
-
versus substrate 4-nitrophenyl acetate Homo sapiens atomoxetine
0.00409
-
versus substrate 4-nitrophenyl acetate Homo sapiens clozapine
0.00413
-
versus substrate 4-nitrophenyl acetate Homo sapiens ziprasidone
0.00415
-
versus substrate 4-nitrophenyl acetate Homo sapiens quetiapine
0.00486
-
versus substrate 4-nitrophenyl acetate Homo sapiens perphenazine
0.00515
-
versus substrate 4-nitrophenyl acetate Homo sapiens thioridazine
0.00521
-
versus substrate 4-nitrophenyl acetate Homo sapiens fluoxetine
0.00524
-
versus substrate 4-nitrophenyl acetate Homo sapiens aripiprazole
0.0583
-
versus substrate methylphenidate Homo sapiens thioridazine
0.0589
-
versus substrate methylphenidate Homo sapiens fluoxetine
0.0617
-
versus substrate methylphenidate Homo sapiens aripiprazole
0.065
-
versus substrate methylphenidate Homo sapiens perphenazine

General Information

General Information Comment Organism
physiological function CES1 plays a role in the metabolism and detoxification of many compounds Homo sapiens