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SCHEMBL3761170

General

Type :

Chemical_Nomenclature : 6-chloro-3-(1-ethyl-2-cyclohexyl)-2-pyrone

Canonical SMILES : CCC1CCCCC1C2=CC=C(OC2=O)Cl

InChI : InChI=1S\/C13H17ClO2\/c1-2-9-5-3-4-6-10(9)11-7-8-12(14)16-13(11)15\/h7-10H,2-6H2,1H3

InChIKey : WHAYJISITPPDDK-UHFFFAOYSA-N

Other name(s) :

MW : 240.72

Formula : C13H17ClO2

CAS_number :

PubChem : 68776241

UniChem : WHAYJISITPPDDK-UHFFFAOYSA-N

Target

Families : SCHEMBL3761170 ligand of proteins in family
Cholesterol_esterase

Protein :
mesau-a0a1u8cxs4

References (1)

Title : Inhibition of pancreatic cholesterol esterase reduces cholesterol absorption in the hamster - Heidrich_2004_BMC.Pharmacol_4_5
Author(s) : Heidrich JE , Contos LM , Hunsaker LA , Deck LM , Vander Jagt DL
Ref : BMC Pharmacol , 4 :5 , 2004
Abstract : Heidrich_2004_BMC.Pharmacol_4_5
ESTHER : Heidrich_2004_BMC.Pharmacol_4_5
PubMedSearch : Heidrich_2004_BMC.Pharmacol_4_5
PubMedID: 15096274
Gene_locus related to this paper: mesau-a0a1u8cxs4 
Array
(
    [id] => 1746
    [inhibitor] => SCHEMBL3761170
    [type] => Array
        (
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 6-chloro-3-(1-ethyl-2-cyclohexyl)-2-pyrone
    [formula] => C13H17ClO2
    [cas_number] => 
    [mw] => 240.72
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Heidrich_2004_BMC.Pharmacol_4_5
    [comment] => 
    [gene_locus] => mesau-a0a1u8cxs4
    [kin_inhibitor] => 
    [cid] => 68776241
    [family] => Cholesterol_esterase
    [inchikey] => WHAYJISITPPDDK-UHFFFAOYSA-N
    [canonicalsmiles] => CCC1CCCCC1C2=CC=C(OC2=O)Cl
    [inchi] => InChI=1S\/C13H17ClO2\/c1-2-9-5-3-4-6-10(9)11-7-8-12(14)16-13(11)15\/h7-10H,2-6H2,1H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)