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Inhibitor Report for: 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
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
IUPHAR|
Wikipedia|

Target

References:
Search PubMed for references concerning: CHEMBL2152538
    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 M, Hoffmann M, He F, Poeta E, Chatonnet A, Monti B, Maurice T, Decker M
    Ref: Journal of Medicinal Chemistry, 64(13)::9302, 2021 : PubMed

            

    Title: Neuroprotective Tri- and Tetracyclic BChE Inhibitors Releasing Reversible Inhibitors upon Carbamate Transfer
    Darras FH, Kling B, Heilmann J, Decker M
    Ref: ACS Med Chem Lett, 3:914, 2012 : PubMed