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Phenothiazine-Tacrine-1dC

1dC is a potent and selective acetylcholinesterase inhibitor with IC50 = 8 nM (1aA whithout chlore and shorter linker potent BChE inhibitor with IC50 = 15 nM )

General

Type : Phenothiazine,Multitarget,Derivative of Tacrine,Antioxidant,Acridine,Alkyl linked bis-ligand,anti-Abeta-aggregation,Sulfur Compound

Chemical_Nomenclature : 6-chloro-N-[5-(10H-phenothiazin-10-yl)pentyl]-1,2,3,4-tetrahydroacridin-9-amine

Canonical SMILES : C1=C(C=CC2=C1N=C6C(=C2NCCCCCN3C5=C(SC4=C3C=CC=C4)C=CC=C5)CCCC6)Cl

InChI : InChI=1S\/C30H30ClN3S\/c31-21-16-17-23-25(20-21)33-24-11-3-2-10-22(24)30(23)32-18-8-1-9-19-34-26-12-4-6-14-28(26)35-29-15-7-5-13-27(29)34\/h4-7,12-17,20H,1-3,8-11,18-19H2,(H,32,33)

InChIKey : ICNPKYKIVQPEDC-UHFFFAOYSA-N

Other name(s) :

MW : 500.10

Formula : C30H30ClN3S

CAS_number :

PubChem :

UniChem : ICNPKYKIVQPEDC-UHFFFAOYSA-N

Target

Families : Phenothiazine-Tacrine-1dC ligand of proteins in family
ACHE

Protein :
human-ACHE

References (1)

Title : Phenothiazine-Tacrine Heterodimers: Pursuing Multitarget Directed Approach in Alzheimer's Disease - Gorecki_2021_ACS.Chem.Neurosci__
Author(s) : Gorecki L , Uliassi E , Bartolini M , Janockova J , Hrabinova M , Hepnarova V , Prchal L , Muckova L , Pejchal J , Karasova JZ , Mezeiova E , Benkova M , Kobrlova T , Soukup O , Petralla S , Monti B , Korabecny J , Bolognesi ML
Ref : ACS Chem Neurosci , : , 2021
Abstract : Gorecki_2021_ACS.Chem.Neurosci__
ESTHER : Gorecki_2021_ACS.Chem.Neurosci__
PubMedSearch : Gorecki_2021_ACS.Chem.Neurosci__
PubMedID: 33852284 
Array
(
    [id] => 858
    [inhibitor] => Phenothiazine-Tacrine-1dC
    [type] => Array
        (
            [0] => Phenothiazine
            [1] => Multitarget
            [2] => Derivative of Tacrine
            [3] => Antioxidant
            [4] => Acridine
            [5] => Alkyl linked bis-ligand
            [6] => anti-Abeta-aggregation
            [7] => Sulfur Compound
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 6-chloro-N-[5-(10H-phenothiazin-10-yl)pentyl]-1,2,3,4-tetrahydroacridin-9-amine
    [formula] => C30H30ClN3S
    [cas_number] => 
    [mw] => 500.10
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Gorecki_2021_ACS.Chem.Neurosci__
    [comment] => 1dC is a potent and selective acetylcholinesterase inhibitor with IC50 = 8 nM (1aA whithout chlore and shorter linker potent BChE inhibitor with IC50 = 15 nM )
    [gene_locus] => human-ACHE
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE
    [inchikey] => ICNPKYKIVQPEDC-UHFFFAOYSA-N
    [canonicalsmiles] => C1=C(C=CC2=C1N=C6C(=C2NCCCCCN3C5=C(SC4=C3C=CC=C4)C=CC=C5)CCCC6)Cl
    [inchi] => InChI=1S\/C30H30ClN3S\/c31-21-16-17-23-25(20-21)33-24-11-3-2-10-22(24)30(23)32-18-8-1-9-19-34-26-12-4-6-14-28(26)35-29-15-7-5-13-27(29)34\/h4-7,12-17,20H,1-3,8-11,18-19H2,(H,32,33)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)