Contilisant
Ligand combining Cholinesterase and Monoamine Oxidase inhibition with Histamine H3 R antagonism for Neurodegenerative Diseases. H3R with ki value of 10.8 nM and significant monoamine oxidase and ChE inhibition activity with IC50 values of 0.53, 1.69, 0.145 and 0.078 microM towards AChE, BuChE, MAO A and MAO B respectively
General
Type : Multitarget, Histamine-Receptor3-H3-Antagonist, Monoamine-oxidase-inhibitor, Piperidine, Indole, Alkyne
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
References (6)
| 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 : 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 : 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 |
| 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 |
| 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 |