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

Target

Families : Tetracyclic-carbamate-ferulicacid-4a ligand of proteins in family
BCHE

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 :
PubMedSearch : Scheiner_2021_J.Med.Chem_64_9302
PubMedID: 34152756