MBA236
bifunctional compound: monoamine oxidase A and B inhibitor, Bifunctional drug derivative || IC50 hMAO-A 6.3 +/- 0.4 nM; hMAO-B 183.6 +/- 7.4 nM; hAChE 2.8 +/- 0.1 microM; hBChE 4.9 +/- 0.2 microM
General
Type : Monoamine-oxidase-inhibitor, Multitarget, Piperidine, Indole, Alkyne
Chemical_Nomenclature : N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine
Canonical SMILES : C1=CC=C(C(=C1)CN2CCC(CC2)CCCOC3=CC=C4C(=C3)CC(N4C)CN(CC#C)C)C
InChI : InChI=1S\/C30H41N3O\/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2\/h1,6-7,9,11-13,21,25,28H,8,10,14-20,22-23H2,2-4H3
InChIKey : VBNTWCDNAHHKHW-UHFFFAOYSA-N
Other name(s) :
Target
References (3)
| Title : N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2- yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor - Bautista-Aguilera_2014_J.Med.Chem_57_10455 |
| Author(s) : Bautista-Aguilera OM , Samadi A , Chioua M , Nikolic K , Filipic S , Agbaba D , Soriano E , de Andres L , Rodriguez-Franco MI , Alcaro S , Ramsay RR , Ortuso F , Yanez M , Marco-Contelles J |
| Ref : Journal of Medicinal Chemistry , 57 :10455 , 2014 |
| Abstract : |
| PubMedSearch : Bautista-Aguilera_2014_J.Med.Chem_57_10455 |
| PubMedID: 25418133 |
| Title : N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2- yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor - Bautista-Aguilera_2014_J.Med.Chem_57_10455 |
| Author(s) : Bautista-Aguilera OM , Samadi A , Chioua M , Nikolic K , Filipic S , Agbaba D , Soriano E , de Andres L , Rodriguez-Franco MI , Alcaro S , Ramsay RR , Ortuso F , Yanez M , Marco-Contelles J |
| Ref : Journal of Medicinal Chemistry , 57 :10455 , 2014 |
| Abstract : |
| PubMedSearch : Bautista-Aguilera_2014_J.Med.Chem_57_10455 |
| PubMedID: 25418133 |
| Title : N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2- yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor - Bautista-Aguilera_2014_J.Med.Chem_57_10455 |
| Author(s) : Bautista-Aguilera OM , Samadi A , Chioua M , Nikolic K , Filipic S , Agbaba D , Soriano E , de Andres L , Rodriguez-Franco MI , Alcaro S , Ramsay RR , Ortuso F , Yanez M , Marco-Contelles J |
| Ref : Journal of Medicinal Chemistry , 57 :10455 , 2014 |
| Abstract : |
| PubMedSearch : Bautista-Aguilera_2014_J.Med.Chem_57_10455 |
| PubMedID: 25418133 |