ML225
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
General
Type : Triazol, Urea derivative, Pyrrolidine
Chemical_Nomenclature : [4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
Canonical SMILES : C1CCN(C1)C(=O)N2N=CC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI : InChI=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
InChIKey : UKVJRODNCZDEBC-UHFFFAOYSA-N
Other name(s) : (4-([1,1'-Biphenyl]-4-yl)-2H-1,2,3-triazol-2-yl)(pyrrolidin-1-yl)methanone || MLS003448139 || CHEMBL1888305 || SCHEMBL22901703 || AA39-2
MW : 318.4
Formula : C19H18N4O
CAS_number : 1361526-43-3
PubChem : 56593029
UniChem : UKVJRODNCZDEBC-UHFFFAOYSA-N
Target
Families : ML225 ligand of proteins in family
PAF-Acetylhydrolase
Protein :
human-PAFAH2
References (2)
| Title : Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors - Adibekian_2011_Nat.Chem.Biol_7_469 |
| Author(s) : Adibekian A , Martin BR , Wang C , Hsu KL , Bachovchin DA , Niessen S , Hoover H , Cravatt BF |
| Ref : Nat Chemical Biology , 7 :469 , 2011 |
| Abstract : |
| PubMedSearch : Adibekian_2011_Nat.Chem.Biol_7_469 |
| PubMedID: 21572424 |
| Title : Optimization and characterization of a triazole urea inhibitor for platelet-activating factor acetylhydrolase type 2 (PAFAH2) - Adibekian_2011_Probe.Report__2 |
| Author(s) : Adibekian A , Hsu KL , Speers AE , Monillas ES , Brown SJ , Spicer T , Fernandez-Vega V , Ferguson J , Bahnson BJ , Cravatt BF , Hodder P , Rosen H |
| Ref : Probe Report , : , 2011 |
| Abstract : |
| PubMedSearch : Adibekian_2011_Probe.Report__2 |
| PubMedID: 23658960 |