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3. 6o-5-HT3

6o-5-HT3

rat-5-HT3 Ki = 5.6 nM; h-AChE IC50 = 4.1 nM; h-BChE IC50 = 40nM

General

Type : Multitarget,5-HT-receptor-ligand,Derivative of Tacrine,Carboxamide,Alkyl linked bis-ligand

Chemical_Nomenclature : 3-methyl-2-(4-methylpiperazin-1-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]quinoline-4-carboxamide

Canonical SMILES : CC1=C(C2=CC=CC=C2N=C1N3CCN(CC3)C)C(=O)NCCCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64

InChI : InChI=1S\/C36H46N6O\/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34\/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)

InChIKey : ACKJXXOVSOCBPX-UHFFFAOYSA-N

Other name(s) : CHEMBL195241,BDBM50166984,3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid [7-(1,2,3,4-tetrahydro-acridin-9-ylamino)-heptyl]-amide

---

MW : 578.8

Formula : C36H46N6O

CAS_number :

PubChem : 11376655

UniChem : ACKJXXOVSOCBPX-UHFFFAOYSA-N

Target

Families : 6o-5-HT3 ligand of proteins in family
BCHE ACHE

Protein :
human-BCHE human-ACHE

References (1)

1. Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory properties

Title : Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory properties - Cappelli_2005_J.Med.Chem_48_3564

Author(s) : Cappelli A , Gallelli A , Manini M , Anzini M , Mennuni L , Makovec F , Menziani MC , Alcaro S , Ortuso F , Vomero S

Ref : Journal of Medicinal Chemistry , 48 :3564 , 2005

Abstract : Cappelli_2005_J.Med.Chem_48_3564

ESTHER : Cappelli_2005_J.Med.Chem_48_3564

PubMedSearch : Cappelli_2005_J.Med.Chem_48_3564

PubMedID: 15887964

Array
(
    [id] => 2037
    [inhibitor] => 6o-5-HT3
    [type] => Array
        (
            [0] => Multitarget
            [1] => 5-HT-receptor-ligand
            [2] => Derivative of Tacrine
            [3] => Carboxamide
            [4] => Alkyl linked bis-ligand
        )

    [other_name] => Array
        (
            [0] => CHEMBL195241
            [1] => BDBM50166984
            [2] => 3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid [7-(1,2,3,4-tetrahydro-acridin-9-ylamino)-heptyl]-amide
        )

    [chemical_nomenclature] => 3-methyl-2-(4-methylpiperazin-1-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]quinoline-4-carboxamide
    [formula] => C36H46N6O
    [cas_number] => 
    [mw] => 578.8
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Cappelli_2005_J.Med.Chem_48_3564
    [comment] => rat-5-HT3 Ki = 5.6 nM\; h-AChE IC50 = 4.1 nM\; h-BChE IC50 = 40nM
    [gene_locus] => human-BCHE || human-ACHE
    [kin_inhibitor] => 
    [cid] => 11376655
    [family] => BCHE || ACHE
    [inchikey] => ACKJXXOVSOCBPX-UHFFFAOYSA-N
    [canonicalsmiles] => CC1=C(C2=CC=CC=C2N=C1N3CCN(CC3)C)C(=O)NCCCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64
    [inchi] => InChI=1S\/C36H46N6O\/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34\/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)