CHEMBL2152538

Formed after carbamoylation of BChE's active site by carbamate inhibitors such as: Tetracyclic-carbamate-cp8. Strongly reduced toxicity on hippocampal neuronal cells (ht-22). IC50 AChE 110.3 microM BChE 44.3 microM

General

Type : Not A\/B H target, Isoquinoline, Quinazoline, Leaving group

Chemical_Nomenclature : 13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-ol

Canonical SMILES : CN1C2C3=CC=CC=C3CCN2CC4=C1C=CC(=C4)O

InChI : InChI=1S\/C17H18N2O\/c1-18-16-7-6-14(20)10-13(16)11-19-9-8-12-4-2-3-5-15(12)17(18)19\/h2-7,10,17,20H,8-9,11H2,1H3

InChIKey : YMWULAJABIPEAC-UHFFFAOYSA-N

Other name(s) : SCHEMBL22239399  ||  TQR1174  ||  BDBM50393001  ||  13-Methyl-5,8,13,13a-tetrahydro-6H-isoquino[1,2-b]quinazoline-10-ol


MW : 266.34

Formula : C17H18N2O

CAS_number :

PubChem : 71456586

UniChem : YMWULAJABIPEAC-UHFFFAOYSA-N

Target

References (2)

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

Title : Neuroprotective Tri- and Tetracyclic BChE Inhibitors Releasing Reversible Inhibitors upon Carbamate Transfer - Darras_2012_ACS.Med.Chem.Lett_3_914
Author(s) : Darras FH , Kling B , Heilmann J , Decker M
Ref : ACS Med Chem Lett , 3 :914 , 2012
Abstract :
PubMedSearch : Darras_2012_ACS.Med.Chem.Lett_3_914
PubMedID: 24900407