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Compound4Tacrine

The IC50 for AChE and BuChE were 0.54 +/- 0.06 and 32.49 +/- 1.2 nM respectively. Selectivity ratio of 60.16 towards AChE

General

Type : Derivative of Tacrine

Chemical_Nomenclature : 5-amino-N1,N3-bis(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl)isophthalamide

Canonical SMILES : C1=CC=C2C(=C1)C(=C3C(=N2)CCCC3)NCCNC(C4=CC(=CC(=C4)C(=O)NCCNC5=C7C(=NC6=CC=CC=C56)CCCC7)N)=O

InChI : InChI=1S\/C38H41N7O2\/c39-26-22-24(37(46)42-19-17-40-35-27-9-1-5-13-31(27)44-32-14-6-2-10-28(32)35)21-25(23-26)38(47)43-20-18-41-36-29-11-3-7-15-33(29)45-34-16-8-4-12-30(34)36\/h1,3,5,7,9,11,13,15,21-23H,2,4,6,8,10,12,14,16-20,39H2,(H,40,44)(H,41,45)(H,42,46)(H,43,47)

InChIKey : QBPQXDNQVSIESE-UHFFFAOYSA-N

Other name(s) :

MW : 627.78

Formula : C38H41N7O2

CAS_number :

PubChem :

UniChem : QBPQXDNQVSIESE-UHFFFAOYSA-N

Target

Families : Compound4Tacrine ligand of proteins in family
ACHE

References (1)

Title : Potent Acetylcholinesterase Selective and Reversible Homodimeric Agent Based on Tacrine for Theranostics - Meena_2019_Mol.Pharm_16_2296
Author(s) : Meena VK , Chaturvedi S , Sharma RK , Mishra AK , Hazari PP
Ref : Mol Pharm , 16 :2296 , 2019
Abstract : Meena_2019_Mol.Pharm_16_2296
ESTHER : Meena_2019_Mol.Pharm_16_2296
PubMedSearch : Meena_2019_Mol.Pharm_16_2296
PubMedID: 31059278 
Array
(
    [id] => 4095
    [inhibitor] => Compound4Tacrine
    [type] => Array
        (
            [0] => Derivative of Tacrine
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 5-amino-N1,N3-bis(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl)isophthalamide
    [formula] => C38H41N7O2
    [cas_number] => 
    [mw] => 627.78
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Meena_2019_Mol.Pharm_16_2296
    [comment] => The IC50  for AChE and BuChE were 0.54 +\/- 0.06 and 32.49 +\/- 1.2 nM respectively. Selectivity ratio of 60.16 towards AChE
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE
    [inchikey] => QBPQXDNQVSIESE-UHFFFAOYSA-N
    [canonicalsmiles] => C1=CC=C2C(=C1)C(=C3C(=N2)CCCC3)NCCNC(C4=CC(=CC(=C4)C(=O)NCCNC5=C7C(=NC6=CC=CC=C56)CCCC7)N)=O
    [inchi] => InChI=1S\/C38H41N7O2\/c39-26-22-24(37(46)42-19-17-40-35-27-9-1-5-13-31(27)44-32-14-6-2-10-28(32)35)21-25(23-26)38(47)43-20-18-41-36-29-11-3-7-15-33(29)45-34-16-8-4-12-30(34)36\/h1,3,5,7,9,11,13,15,21-23H,2,4,6,8,10,12,14,16-20,39H2,(H,40,44)(H,41,45)(H,42,46)(H,43,47)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)