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Inhibitor Report for: TPPU-6-Chlorotacrine-12c

Name Class
TPPU-6-Chlorotacrine-12cType (6)
Other_Name12c
SCHEMBL22470478
Chemical_Nomenclature1-[1-[5-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentanoyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
FormulaC31H35ClF3N5O3
MW618.1
PaperCodony_2022_J.Med.Chem_65_4909
Comment12c human hsEH IC50 (nM) 4.6 human AChE IC50 (nM) 12.9+/- 1.6 human BChE IC50 (nM) 179+/-90 Mouse msEH IC50 (nM) 22.5 Mouse mAChE IC50 (nM) 4.12+/-0.23
Gene_locushuman-EPHX2
human-ACHE
CID155146568
FamilyEpoxide_hydrolase
ACHE
InChIKeyLCWAVZISUIFMQY-UHFFFAOYSA-N
CanonicalSMILESC1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCC(=O)N4CCC(CC4)NC(=O)NC5=CC=C(C=C5)OC(F)(F)F
InChIInChI=1S/C31H35ClF3N5O3/c32-20-8-13-25-27(19-20)39-26-6-2-1-5-24(26)29(25)36-16-4-3-7-28(41)40-17-14-22(15-18-40)38-30(42)37-21-9-11-23(12-10-21)43-31(33,34)35/h8-13,19,22H,1-7,14-18H2,(H,36,39)(H2,37,38,42)

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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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