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Inhibitor Report for: ML225

Name Class
ML225TypeTriazol
Urea derivative
Pyrrolidine
Other_Name (5)
Chemical_Nomenclature[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
FormulaC19H18N4O
CAS_number1361526-43-3
MW318.4
PaperAdibekian_2011_Probe.Report__2
Adibekian_2011_Nat.Chem.Biol_7_469
Comment specific for human-PAFAH2IC50 = 3 nM), and is active in situ at sub-nanomolar concentrations. ML225 is at least 333-fold selective for all other serine hydrolases
Gene_locushuman-PAFAH2
CID56593029
FamilyPAF-Acetylhydrolase
InChIKeyUKVJRODNCZDEBC-UHFFFAOYSA-N
CanonicalSMILESC1CCN(C1)C(=O)N2N=CC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4
InChIInChI=1S/C19H18N4O/c24-19(22-12-4-5-13-22)23-20-14-18(21-23)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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