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Inhibitor Report for: 3,5-dihydroxybenzamido-huprine-hybrid-11

Name Class
3,5-dihydroxybenzamido-huprine-hybrid-11TypeMultitarget
Derivative of Huperzine
BACE1-inhibitor
Alkyl linked bis-ligand
Other_NameCHEMBL4859103
BDBM50579157
Chemical_NomenclatureN-[9-[(7-chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-yl)amino]nonyl]-3,5-dihydroxybenzamide
FormulaC33H40ClN3O3
MW562.1
PaperPont_2021_Eur.J.Med.Chem_225_113779
CommentIC50 ACHE 0.00257 microM; IC50 BCHE 0.043 micorM IC50 BACE1 2.71 microM
Gene_locushuman-BCHE
human-ACHE
CID164615947
FamilyBCHE
ACHE
InChIKeyLODADOWHBHYNFI-UHFFFAOYSA-N
CanonicalSMILESCC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)NCCCCCCCCCNC(=O)C5=CC(=CC(=C5)O)O
InChIInChI=1S/C33H40ClN3O3/c1-21-13-22-15-23(14-21)31-30(16-22)37-29-19-25(34)9-10-28(29)32(31)35-11-7-5-3-2-4-6-8-12-36-33(40)24-17-26(38)20-27(39)18-24/h9-10,13,17-20,22-23,38-39H,2-8,11-12,14-16H2,1H3,(H,35,37)(H,36,40)

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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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