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CHEMBL4177075

biooxidisable prodrug: human ACHE IC50 0.154 microM || . Electron-withdrawing-group

General

Type : Carbamate, Quinoline

Chemical_Nomenclature : [3-(dimethylcarbamoyl)-1-methylquinolin-1-ium-5-yl] N,N-dimethylcarbamate\;iodide

Canonical SMILES : C[N+]1=CC(=CC2=C1C=CC=C2OC(=O)N(C)C)C(=O)N(C)C.[I-]

InChI : InChI=1S\/C16H20N3O3.HI\/c1-17(2)15(20)11-9-12-13(19(5)10-11)7-6-8-14(12)22-16(21)18(3)4\;\/h6-10H,1-5H3\;1H\/q+1\;\/p-1

InChIKey : KHYLGBRHLIMEHR-UHFFFAOYSA-M

Other name(s) : [3-(Dimethylcarbamoyl)-1-methyl-quinolin-1-ium-5-yl] N,N-dimethylcarbamate iodide  ||  Compound 2a  ||  BDBM50449492

MW : 429.25

Formula : C16H20IN3O3

CAS_number :

PubChem : 145971257,    44178777

UniChem : KHYLGBRHLIMEHR-UHFFFAOYSA-M

Target

References (1)

Title : Rational design of carbamate-based dual binding site and central AChE inhibitors by a 'biooxidisable' prodrug approach: Synthesis, invitro evaluation and docking studies - Tintas_2018_Eur.J.Med.Chem_155_171
Author(s) : Tintas ML , Gembus V , Alix F , Barre A , Coadou G , Truong L , Sebban M , Papamical C , Oulyadi H , Levacher V
Ref : Eur Journal of Medicinal Chemistry , 155 :171 , 2018
Abstract :
PubMedSearch : Tintas_2018_Eur.J.Med.Chem_155_171
PubMedID: 29886321