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Inhibitor Report for: 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
IUPHAR|
Wikipedia|

Target
Families | Contilisant ligand of proteins in family: ACHE, BCHE

References:
Search PubMed for references concerning: Contilisant
    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 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 : PubMed

            

    Title: Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H3 R Antagonism for Neurodegenerative Diseases
    Bautista-Aguilera OM, Hagenow S, Palomino-Antolin A, Farre-Alins V, Ismaili L, Joffrin PL, Jimeno ML, Soukup O, Janockova J and Stark H <11 more author(s)>
    Ref: Angew Chem Int Ed Engl, 56:12765, 2017 : PubMed