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CB1R-ACHE-20

General

Type : Multitarget,Cannabinoid-Receptor-ligand,Derivative of Tacrine,Imidazole,Carboxamide,Alkyl linked bis-ligand

Chemical_Nomenclature : 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide

Canonical SMILES : CCC1=C(N=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl)C(=O)NCCCCNC4=C5CCCCC5=NC6=CC=CC=C64

InChI : InChI=1S\/C35H35Cl2N5O\/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32\/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)

InChIKey : STWYWUGMZLRNAY-UHFFFAOYSA-N

Other name(s) : CHEMBL570159,SCHEMBL1336554,BDBM50303841,N-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)butyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide

---

MW : 612.59

Formula : C35H35Cl2N5O

CAS_number :

PubChem : 24825767

UniChem : STWYWUGMZLRNAY-UHFFFAOYSA-N

Target

Families : CB1R-ACHE-20 ligand of proteins in family
ACHE

References (1)

1. Design, synthesis, biological properties, and molecular modeling investigations of novel tacrine derivatives with a combination of acetylcholinesterase inhibition and cannabinoid CB1 receptor antagonism

Title : Design, synthesis, biological properties, and molecular modeling investigations of novel tacrine derivatives with a combination of acetylcholinesterase inhibition and cannabinoid CB1 receptor antagonism - Lange_2010_J.Med.Chem_53_1338

Author(s) : Lange JH , Coolen HK , van der Neut MA , Borst AJ , Stork B , Verveer PC , Kruse CG

Ref : Journal of Medicinal Chemistry , 53 :1338 , 2010

Abstract : Lange_2010_J.Med.Chem_53_1338

ESTHER : Lange_2010_J.Med.Chem_53_1338

PubMedSearch : Lange_2010_J.Med.Chem_53_1338

PubMedID: 20047331

Array
(
    [id] => 3561
    [inhibitor] => CB1R-ACHE-20
    [type] => Array
        (
            [0] => Multitarget
            [1] => Cannabinoid-Receptor-ligand
            [2] => Derivative of Tacrine
            [3] => Imidazole
            [4] => Carboxamide
            [5] => Alkyl linked bis-ligand
        )

    [other_name] => Array
        (
            [0] => CHEMBL570159
            [1] => SCHEMBL1336554
            [2] => BDBM50303841
            [3] => N-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)butyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
        )

    [chemical_nomenclature] => 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide
    [formula] => C35H35Cl2N5O
    [cas_number] => 
    [mw] => 612.59
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Lange_2010_J.Med.Chem_53_1338
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 24825767
    [family] => ACHE
    [inchikey] => STWYWUGMZLRNAY-UHFFFAOYSA-N
    [canonicalsmiles] => CCC1=C(N=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl)C(=O)NCCCCNC4=C5CCCCC5=NC6=CC=CC=C64
    [inchi] => InChI=1S\/C35H35Cl2N5O\/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32\/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)