Tetracyclic-carbamate-ferulicacid-4a
hBChE IC50 0.155 microM; hAChE 7.7% at 10mM
General
Type : Carbamate,Natural_modified,Derivative of Evodiamine,Isoquinoline,Quinazoline,Feruloyl,Antioxidant,Alkyl linked bis-ligand
Chemical_Nomenclature : (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]carbamate
Canonical SMILES : CN1C2C3=CC=CC=C3CCN2CC4=C1C=CC(=C4)OC(=O)NCCCCNC(=O)C=CC5=CC(=C(C=C5)O)OC
InChI : InChI=1S\/C32H36N4O5\/c1-35-27-12-11-25(20-24(27)21-36-18-15-23-7-3-4-8-26(23)31(35)36)41-32(39)34-17-6-5-16-33-30(38)14-10-22-9-13-28(37)29(19-22)40-2\/h3-4,7-14,19-20,31,37H,5-6,15-18,21H2,1-2H3,(H,33,38)(H,34,39)\/b14-10+
InChIKey : SKFATRLUVYBNSY-GXDHUFHOSA-N
Other name(s) : CHEMBL5084655,BDBM50580653
MW : 556.7
Formula : C32H36N4O5
CAS_number :
PubChem : 166634488
UniChem : SKFATRLUVYBNSY-GXDHUFHOSA-N
IUPHAR :
Wikipedia :
Target
Families : Tetracyclic-carbamate-ferulicacid-4a ligand of proteins in family: BCHE
Stucture :
Protein : human-BCHE
References (1)
| Title : Selective Pseudo-irreversible Butyrylcholinesterase Inhibitors Transferring Antioxidant Moieties to the Enzyme Show Pronounced Neuroprotective Efficacy In Vitro and In Vivo in an Alzheimer's Disease Mouse Model - Scheiner_2021_J.Med.Chem_64_9302 |
| Author(s) : Scheiner M , Hoffmann M , He F , Poeta E , Chatonnet A , Monti B , Maurice T , Decker M |
| Ref : Journal of Medicinal Chemistry , 64(13): :9302 , 2021 |
| Abstract : Scheiner_2021_J.Med.Chem_64_9302 |
| ESTHER : Scheiner_2021_J.Med.Chem_64_9302 |
| PubMedSearch : Scheiner_2021_J.Med.Chem_64_9302 |
| PubMedID: 34152756 |