Gamma-carboline-nonyl-bivalent
NMDAR GluN1-1a/2A IC50 0.4 +/- 0.05 microM; NMDAR GluN1-1a/2B 0.8 +/- 0.09 microM; rhAChE IC50 0.00033 +/- 0.00025 microM; BChE IC50 0.016 +/- 0.001 microM
General
Type : beta-carboline, Indole, NMDA-Ligand, Multitarget, Alkyl linked bis-ligand
Chemical_Nomenclature : 2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium
Canonical SMILES : C[N+]1=CC2=C(C=C1)N(C3=CC=CC=C32)CCCCCCCCCN4C5=C(C=[N+](C=C5)C)C6=CC=CC=C64
InChI : InChI=1S\/C33H38N4\/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37\/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3\/q+2
InChIKey : ZNNQFFKFWSWODG-UHFFFAOYSA-N
Other name(s) : CHEMBL3606063 || CHEMBL3605361 || BDBM50111776
MW : 490.7
Formula : C33H38N4+2
CAS_number :
PubChem : 122186430
UniChem : ZNNQFFKFWSWODG-UHFFFAOYSA-N
Target
Families : Gamma-carboline-nonyl-bivalent ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
References (3)
| Title : Evaluation of gamma-carboline-phenothiazine conjugates as simultaneous NMDA receptor blockers and cholinesterase inhibitors - Schwarthoff_2021_Bioorg.Med.Chem_46_116355 |
| Author(s) : Schwarthoff S , Tischer N , Sager H , Schatz B , Rohrbach MM , Raztsou I , Robaa D , Gaube F , Arndt HD , Winckler T |
| Ref : Bioorganic & Medicinal Chemistry , 46 :116355 , 2021 |
| Abstract : |
| PubMedSearch : Schwarthoff_2021_Bioorg.Med.Chem_46_116355 |
| PubMedID: 34391122 |
| Title : Evaluation of Homobivalent Carbolines as Designed Multiple Ligands for the Treatment of Neurodegenerative Disorders - Otto_2015_J.Med.Chem_58_6710 |
| Author(s) : Otto R , Penzis R , Gaube F , Adolph O , Fohr KJ , Warncke P , Robaa D , Appenroth D , Fleck C , Enzensperger C , Lehmann J , Winckler T |
| Ref : Journal of Medicinal Chemistry , 58 :6710 , 2015 |
| Abstract : |
| PubMedSearch : Otto_2015_J.Med.Chem_58_6710 |
| PubMedID: 26278660 |
| Title : Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents - Rook_2010_J.Med.Chem_53_3611 |
| Author(s) : Rook Y , Schmidtke KU , Gaube F , Schepmann D , Wunsch B , Heilmann J , Lehmann J , Winckler T |
| Ref : Journal of Medicinal Chemistry , 53 :3611 , 2010 |
| Abstract : |
| PubMedSearch : Rook_2010_J.Med.Chem_53_3611 |
| PubMedID: 20361801 |