Contilisant

Ligand combining Cholinesterase and Monoamine Oxidase inhibition with Histamine H3 R antagonism for Neurodegenerative Diseases

General

Type : Multitarget, Histamine-Receptor3-H3-Antagonist, Monoamine-oxidase-inhibitor, Piperidine, Indole

Chemical_Nomenclature : N-Methyl-N-((1-methyl-5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine

Canonical SMILES : C[N]3C1=C(C=C(C=C1)OCCCN2CCCCC2)C=C3CN(C)CC#C

InChI : InChI=1S\/C22H31N3O\/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25\/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3

InChIKey : NQDGCGNKNJWZHP-UHFFFAOYSA-N

Other name(s) :


MW : 353.50

Formula : C22H31N3O

CAS_number :

PubChem : 134817200

UniChem : NQDGCGNKNJWZHP-UHFFFAOYSA-N

Target

Families : Contilisant ligand of proteins in family
ACHE BCHE

References (2)

Title : Contilisant, a Tetratarget Small Molecule for Alzheimer's Disease Therapy Combining Cholinesterase, Monoamine Oxidase Inhibition, and H3R Antagonism with S1R Agonism Profile - Bautista-Aguilera_2018_J.Med.Chem_61_6937
Author(s) : Bautista-Aguilera OM , Budni J , Mina F , Medeiros EB , Deuther-Conrad W , Entrena JM , Moraleda I , Iriepa I , Lopez-Munoz F , Marco-Contelles J
Ref : Journal of Medicinal Chemistry , 61 :6937 , 2018
Abstract :
PubMedSearch : Bautista-Aguilera_2018_J.Med.Chem_61_6937
PubMedID: 29969030

Title : Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H3 R Antagonism for Neurodegenerative Diseases - Bautista-Aguilera_2017_Angew.Chem.Int.Ed.Engl_56_12765
Author(s) : Bautista-Aguilera OM , Hagenow S , Palomino-Antolin A , Farre-Alins V , Ismaili L , Joffrin PL , Jimeno ML , Soukup O , Janockova J , Kalinowsky L , Proschak E , Iriepa I , Moraleda I , Schwed JS , Romero Martinez A , Lopez-Munoz F , Chioua M , Egea J , Ramsay RR , Marco-Contelles J , Stark H
Ref : Angew Chem Int Ed Engl , 56 :12765 , 2017
Abstract :
PubMedSearch : Bautista-Aguilera_2017_Angew.Chem.Int.Ed.Engl_56_12765
PubMedID: 28861918