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NP61

Dual site inhibitor active site and peripheral anionic site (PAS)

General

Type : Indole,Derivative of Tacrine,Alkyl linked bis-ligand

Chemical_Nomenclature : N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide

Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCCNC(=O)CCC4=CNC5=CC=CC=C54

InChI : InChI=1S\/C29H33ClN4O\/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25\/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)

InChIKey : MZIDLDQPPBIKHJ-UHFFFAOYSA-N

Other name(s) : Indole-Tacrine Heterodimer 4,BDBM9021,CHEMBL224335,SCHEMBL1537880,N-[5(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)pentyl]-3-(1H-indol-3-yl) propionamide

---

MW : 489.06

Formula : C29H33ClN4O

CAS_number :

PubChem : 11167725

UniChem : MZIDLDQPPBIKHJ-UHFFFAOYSA-N

Target

Families : NP61 ligand of proteins in family
BCHE ACHE

References (3)

1. Potent beta-amyloid modulators

Title : Potent beta-amyloid modulators - Garcia-Palomero_2008_Neurodegener.Dis_5_153

Author(s) : Garcia-Palomero E , Munoz P , Usan P , Garcia P , Delgado E , de Austria C , Valenzuela R , Rubio L , Medina M , Martinez A

Ref : Neurodegener Dis , 5 :153 , 2008

Abstract : Garcia-Palomero_2008_Neurodegener.Dis_5_153

ESTHER : Garcia-Palomero_2008_Neurodegener.Dis_5_153

PubMedSearch : Garcia-Palomero_2008_Neurodegener.Dis_5_153

PubMedID: 18322376

2. Dual binding site acetylcholinesterase inhibitors: potential new disease-modifying agents for AD

Title : Dual binding site acetylcholinesterase inhibitors: potential new disease-modifying agents for AD - del Monte-Millan_2006_J.Mol.Neurosci_30_85

Author(s) : del Monte-Millan M , Garcia-Palomero E , Valenzuela R , Usan P , de Austria C , Munoz-Ruiz P , Rubio L , Dorronsoro I , Martinez A , Medina M

Ref : Journal of Molecular Neuroscience , 30 :85 , 2006

Abstract : del Monte-Millan_2006_J.Mol.Neurosci_30_85

ESTHER : del Monte-Millan_2006_J.Mol.Neurosci_30_85

PubMedSearch : del Monte-Millan_2006_J.Mol.Neurosci_30_85

PubMedID: 17192640

3. Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease

Title : Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease - Munoz-Ruiz_2005_J.Med.Chem_48_7223

Author(s) : Munoz-Ruiz P , Rubio L , Garcia-Palomero E , Dorronsoro I , del Monte-Millan M , Valenzuela R , Usan P , de Austria C , Bartolini M , Andrisano V , Bidon-Chanal A , Orozco M , Luque FJ , Medina M , Martinez A

Ref : Journal of Medicinal Chemistry , 48 :7223 , 2005

Abstract : Munoz-Ruiz_2005_J.Med.Chem_48_7223

ESTHER : Munoz-Ruiz_2005_J.Med.Chem_48_7223

PubMedSearch : Munoz-Ruiz_2005_J.Med.Chem_48_7223

PubMedID: 16279781

Array
(
    [id] => 3519
    [inhibitor] => NP61
    [type] => Array
        (
            [0] => Indole
            [1] => Derivative of Tacrine
            [2] => Alkyl linked bis-ligand
        )

    [other_name] => Array
        (
            [0] => Indole-Tacrine Heterodimer 4
            [1] => BDBM9021
            [2] => CHEMBL224335
            [3] => SCHEMBL1537880
            [4] => N-[5(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)pentyl]-3-(1H-indol-3-yl) propionamide
        )

    [chemical_nomenclature] => N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-3-(1H-indol-3-yl)propanamide
    [formula] => C29H33ClN4O
    [cas_number] => 
    [mw] => 489.06
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Garcia-Palomero_2008_Neurodegener.Dis_5_153 || del Monte-Millan_2006_J.Mol.Neurosci_30_85 || Munoz-Ruiz_2005_J.Med.Chem_48_7223
    [comment] => Dual site inhibitor active site and peripheral anionic site (PAS)
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 11167725
    [family] => BCHE || ACHE
    [inchikey] => MZIDLDQPPBIKHJ-UHFFFAOYSA-N
    [canonicalsmiles] => C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCCNC(=O)CCC4=CNC5=CC=CC=C54
    [inchi] => InChI=1S\/C29H33ClN4O\/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25\/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)