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Inhibitor Report for: ML348

Name Class
ML348TypeTrifluoro
Piperazine
Other_Name (6)
Chemical_NomenclatureN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
FormulaC18H17ClF3N3O3
CAS_number899713-86-1
MW415.79
Paper (6)
Structure5SYM
CommentQuite specific for LYPLA1: APT1 (LYPLA1) Ki= 300 nM; APT2 (LYPLA2) Ki> 10microM
Gene_locushuman-LYPLA1
CID3238952
FamilyLYsophospholipase_carboxylesterase
InChIKeyOXKNHBBDOIMFFQ-UHFFFAOYSA-N
CanonicalSMILESC1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)C3=CC=CO3
InChIInChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)

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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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