1. Home
2. Inhibitor
3. Isatin-thiosemicarbazone-cpd13

Isatin-thiosemicarbazone-cpd13

AChE KI 0.94 +/- 0.13 microM; BChE KI 0.82 +/- 0.11 microM

General

Type : Urea derivative,Indole,Sulfur Compound

Chemical_Nomenclature : 1-benzyl-3-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]thiourea

Canonical SMILES : COC1=CC2=C(C=C1)NC(=C2N=NC(=S)NCC3=CC=CC=C3)O

InChI : InChI=1S\/C17H16N4O2S\/c1-23-12-7-8-14-13(9-12)15(16(22)19-14)20-21-17(24)18-10-11-5-3-2-4-6-11\/h2-9,19,22H,10H2,1H3,(H,18,24)

InChIKey : FAPGKIBHGOCLQL-UHFFFAOYSA-N

Other name(s) : 3-(4-Benzylthiosemicarbazono)-5-methoxyindoline-2-one,(Z)-2-(5-methoxy-2-oxoindolin-3-ylidene)- N-benzyl-hydrazine-1-carbothioamide,(2Z)-N-Benzyl-2-(5-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide

---

MW : 340.4

Formula : C17H16N4O2S

CAS_number :

PubChem : 136756103

UniChem : FAPGKIBHGOCLQL-UHFFFAOYSA-N

Target

Families : Isatin-thiosemicarbazone-cpd13 ligand of proteins in family
ACHE BCHE

References (1)

1. Determination of biological studies and molecular docking calculations of isatin-thiosemicarbazone hybrid compounds

Title : Determination of biological studies and molecular docking calculations of isatin-thiosemicarbazone hybrid compounds - Kocyigit_2022_J.Mol.Struct_1264_

Author(s) : Kocyigit UM , Dogan M , Muglu H , Taslimi P , Tuzun B , Yakan H , Bal H , Guzel E , Gulci I

Ref : J Mol Struct , 1264 : , 2022

Abstract : Kocyigit_2022_J.Mol.Struct_1264_

ESTHER : Kocyigit_2022_J.Mol.Struct_1264_

PubMedSearch : Kocyigit_2022_J.Mol.Struct_1264_

PubMedID:

Array
(
    [id] => 993
    [inhibitor] => Isatin-thiosemicarbazone-cpd13
    [type] => Array
        (
            [0] => Urea derivative
            [1] => Indole
            [2] => Sulfur Compound
        )

    [other_name] => Array
        (
            [0] => 3-(4-Benzylthiosemicarbazono)-5-methoxyindoline-2-one
            [1] => (Z)-2-(5-methoxy-2-oxoindolin-3-ylidene)- N-benzyl-hydrazine-1-carbothioamide
            [2] => (2Z)-N-Benzyl-2-(5-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
        )

    [chemical_nomenclature] => 1-benzyl-3-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]thiourea
    [formula] => C17H16N4O2S
    [cas_number] => 
    [mw] => 340.4
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Kocyigit_2022_J.Mol.Struct_1264_
    [comment] => AChE  KI  0.94 +\/- 0.13 microM\; BChE KI 0.82 +\/- 0.11 microM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 136756103
    [family] => ACHE || BCHE
    [inchikey] => FAPGKIBHGOCLQL-UHFFFAOYSA-N
    [canonicalsmiles] => COC1=CC2=C(C=C1)NC(=C2N=NC(=S)NCC3=CC=CC=C3)O
    [inchi] => InChI=1S\/C17H16N4O2S\/c1-23-12-7-8-14-13(9-12)15(16(22)19-14)20-21-17(24)18-10-11-5-3-2-4-6-11\/h2-9,19,22H,10H2,1H3,(H,18,24)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)