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Inhibitor Report for: CHEMBL4454960

Name Class
CHEMBL4454960TypeMorpholine
Isoquinoline
Carbamate
Quinazoline
Other_Namecompound-1c
CHEMBL4454960
Chemical_Nomenclature(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-(6-morpholin-4-ylhexyl)carbamate
FormulaC28H38N4O3
MW478.6
PaperGentzsch_2021_ChemMedChem__
CommentPseudo-irreversible Inhibitor of Human Butyrylcholinesterase lead for pet tracer
Gene_locushuman-BCHE
CID155523624
FamilyBCHE
InChIKeyVTWLCCKOONFZLR-UHFFFAOYSA-N
CanonicalSMILESCN1C2C3=CC=CC=C3CCN2CC4=C1C=CC(=C4)OC(=O)NCCCCCCN5CCOCC5
InChIInChI=1S/C28H38N4O3/c1-30-26-11-10-24(20-23(26)21-32-15-12-22-8-4-5-9-25(22)27(30)32)35-28(33)29-13-6-2-3-7-14-31-16-18-34-19-17-31/h4-5,8-11,20,27H,2-3,6-7,12-19,21H2,1H3,(H,29,33)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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