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Inhibitor Report for: 7QAK-Cpd1

Name Class
7QAK-Cpd1TypeMonoamine-oxidase-inhibitor
Multitarget
Coumarin
Other_NameCHEMBL3586771
Chemical_Nomenclature7-[(4-{[benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one
4-Hydroxymethyl-7-(4-(methylbenzylaminomethyl)benzyloxy)-2H-1-benzopyran-2-one
FormulaC26H25NO4
MW415.5
PaperEkstrom_2022_ACS.Med.Chem.Lett_13_499
Structure7QAK
CommentMAO-B Ki muM 4.5 +/-0.2; MAO-B IC50 muM 0.010 +/- 0.002; human AChE IC50 muM 0.12 +/- 0.01; mouse AChE IC50 muM 0.40 +/- 0.03
CID122180463
FamilyACHE
InChIKeyRTJRBYKZQSYWCM-UHFFFAOYSA-N
CanonicalSMILESCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)CO
InChIInChI=1S/C26H25NO4/c1-27(15-19-5-3-2-4-6-19)16-20-7-9-21(10-8-20)18-30-23-11-12-24-22(17-28)13-26(29)31-25(24)14-23/h2-14,28H,15-18H2,1H3

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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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