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Literature summary 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

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

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.1.1.1 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine
-
 Homo sapiens
3.1.1.1 aripiprazole
-
 Homo sapiens
3.1.1.1 atomoxetine
-
 Homo sapiens
3.1.1.1 clozapine
-
 Homo sapiens
3.1.1.1 fluoxetine
-
 Homo sapiens
3.1.1.1 haloperidol
-
 Homo sapiens
3.1.1.1 imipramine
-
 Homo sapiens
3.1.1.1 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
3.1.1.1 n-desmethylclozapine
-
 Homo sapiens
3.1.1.1 olanzapine
-
 Homo sapiens
3.1.1.1 perphenazine
-
 Homo sapiens
3.1.1.1 quetiapine
-
 Homo sapiens
3.1.1.1 thioridazine
-
 Homo sapiens
3.1.1.1 ziprasidone
-
 Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.1 Homo sapiens
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
3.1.1.1 liver
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.1 4-nitrophenyl acetate + H2O
-
 Homo sapiens 4-nitrophenol + acetate
-
 ?
3.1.1.1 D-methylphenidate + H2O
-
 Homo sapiens methanol + phenyl(piperidin-2-yl)acetate
-
 ?
3.1.1.1 DL-methylphenidate + H2O
-
 Homo sapiens methanol + phenyl(piperidin-2-yl)acetate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.1 carboxylesterase 1
-
 Homo sapiens
3.1.1.1 CES1
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.1.1.1 0.00338
-
 versus substrate 4-nitrophenyl acetate Homo sapiens olanzapine
3.1.1.1 0.00359
-
 versus substrate 4-nitrophenyl acetate Homo sapiens haloperidol
3.1.1.1 0.00372
-
 versus substrate 4-nitrophenyl acetate Homo sapiens imipramine
3.1.1.1 0.00399
-
 versus substrate 4-nitrophenyl acetate Homo sapiens n-desmethylclozapine
3.1.1.1 0.00402
-
 versus substrate 4-nitrophenyl acetate Homo sapiens 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine
3.1.1.1 0.00407
-
 versus substrate 4-nitrophenyl acetate Homo sapiens atomoxetine
3.1.1.1 0.00409
-
 versus substrate 4-nitrophenyl acetate Homo sapiens clozapine
3.1.1.1 0.00413
-
 versus substrate 4-nitrophenyl acetate Homo sapiens ziprasidone
3.1.1.1 0.00415
-
 versus substrate 4-nitrophenyl acetate Homo sapiens quetiapine
3.1.1.1 0.00486
-
 versus substrate 4-nitrophenyl acetate Homo sapiens perphenazine
3.1.1.1 0.00515
-
 versus substrate 4-nitrophenyl acetate Homo sapiens thioridazine
3.1.1.1 0.00521
-
 versus substrate 4-nitrophenyl acetate Homo sapiens fluoxetine
3.1.1.1 0.00524
-
 versus substrate 4-nitrophenyl acetate Homo sapiens aripiprazole
3.1.1.1 0.0583
-
 versus substrate methylphenidate Homo sapiens thioridazine
3.1.1.1 0.0589
-
 versus substrate methylphenidate Homo sapiens fluoxetine
3.1.1.1 0.0617
-
 versus substrate methylphenidate Homo sapiens aripiprazole
3.1.1.1 0.065
-
 versus substrate methylphenidate Homo sapiens perphenazine

General Information

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