CHEMBL245470
IC50 AChE 1.06 0.17 nM; BChE 19.68 +/- 0.02 nM. Oxoisoaporphine alkaloids are isolated from the rhizome of Menispermum dauricum DC. (Menispermaceae)
General
Type : Oxoisoaporphine, Alkaloid
Chemical_Nomenclature : 3-(1-methylpyrrolidin-1-ium-1-yl)-N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)propanamide
Canonical SMILES : C[N+]1(CCCC1)CCC(=O)NC2=CC3=C(C=C2)C4=NC=CC5=C4C(=CC=C5)C3=O
InChI : InChI=1S\/C24H23N3O2\/c1-27(12-2-3-13-27)14-10-21(28)26-17-7-8-18-20(15-17)24(29)19-6-4-5-16-9-11-25-23(18)22(16)19\/h4-9,11,15H,2-3,10,12-14H2,1H3\/p+1
InChIKey : OHQUCPYHRDUTKM-UHFFFAOYSA-O
Other name(s) : BDBM50211239 || 1-methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9-ylcarbamoyl)-ethyl]-pyrrolidinium || Compound 4b
MW : 386.5
Formula : C24H24N3O2+
CAS_number :
PubChem : 23628219
UniChem : OHQUCPYHRDUTKM-UHFFFAOYSA-O
Target
Families : CHEMBL245470 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Derivatives of oxoisoaporphine alkaloids: a novel class of selective acetylcholinesterase inhibitors - Tang_2007_Bioorg.Med.Chem.Lett_17_3765 |
| Author(s) : Tang H , Ning FX , Wei YB , Huang SL , Huang ZS , Chan AS , Gu LQ |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :3765 , 2007 |
| Abstract : |
| PubMedSearch : Tang_2007_Bioorg.Med.Chem.Lett_17_3765 |
| PubMedID: 17451950 |