CHEMBL550075
IC50 electric eel AChE 0.00048 microM; equine serum BuChE 0.6 microM. Oxoisoaporphine alkaloids are isolated from the rhizome of Menispermum dauricum DC. (Menispermaceae)
General
Type : Oxoisoaporphine, Alkaloid, Piperidine
Chemical_Nomenclature : 3-(1-methylpiperidin-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\;iodide
Canonical SMILES : C[N+]1(CCCCC1)CCC(=O)NC2=CC3=C(C=C2)C4=NC=CC5=C4C(=CC=C5)C3=O.[I-] || C[N+]1(CCCCC1)CCC(=O)NC2=CC3=C(C=C2)C4=NC=CC5=C4C(=CC=C5)C3=O
InChI : InChI=1S\/C25H25N3O2.HI\/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20\;\/h5-10,12,16H,2-4,11,13-15H2,1H3\;1H || InChI=1S\/C25H25N3O2\/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20\/h5-10,12,16H,2-4,11,13-15H2,1H3\/p+1
InChIKey : DYONUANMQVRPIY-UHFFFAOYSA-N || APEFGTAGDTUVAK-UHFFFAOYSA-O
Other name(s) : CHEMBL550075 || CHEMBL1194291 || BDBM50293451
MW : 527.4
Formula : C25H26IN3O2
CAS_number :
UniChem : DYONUANMQVRPIY-UHFFFAOYSA-N, APEFGTAGDTUVAK-UHFFFAOYSA-O
Target
Families : CHEMBL550075 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (3)
| Title : Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinesterase\/butyrylcholinesterase - Tang_2009_Eur.J.Med.Chem_44_2523 |
| Author(s) : Tang H , Wei YB , Zhang C , Ning FX , Qiao W , Huang SL , Ma L , Huang ZS , Gu LQ |
| Ref : Eur Journal of Medicinal Chemistry , 44 :2523 , 2009 |
| Abstract : |
| PubMedSearch : Tang_2009_Eur.J.Med.Chem_44_2523 |
| PubMedID: 19243862 |
| Title : Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinesterase\/butyrylcholinesterase - Tang_2009_Eur.J.Med.Chem_44_2523 |
| Author(s) : Tang H , Wei YB , Zhang C , Ning FX , Qiao W , Huang SL , Ma L , Huang ZS , Gu LQ |
| Ref : Eur Journal of Medicinal Chemistry , 44 :2523 , 2009 |
| Abstract : |
| PubMedSearch : Tang_2009_Eur.J.Med.Chem_44_2523 |
| PubMedID: 19243862 |
| Title : Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinesterase\/butyrylcholinesterase - Tang_2009_Eur.J.Med.Chem_44_2523 |
| Author(s) : Tang H , Wei YB , Zhang C , Ning FX , Qiao W , Huang SL , Ma L , Huang ZS , Gu LQ |
| Ref : Eur Journal of Medicinal Chemistry , 44 :2523 , 2009 |
| Abstract : |
| PubMedSearch : Tang_2009_Eur.J.Med.Chem_44_2523 |
| PubMedID: 19243862 |