CHEMBL351434
Potent, water soluble inhibitor of lipoprotein-associated phospholipase A2 IC50 0.533 micro M
General
Type : Sulfur Compound,Pyrimidine
Chemical_Nomenclature : 2-[5-[[1-[2-[dodecyl(methyl)amino]-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-5-yl]methyl]-2-oxopyrimidin-1-yl]acetic acid
Canonical SMILES : CCCCCCCCCCCCN(C)C(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(C(=O)N=C3)CC(=O)O
InChI : InChI=1S\/C33H44FN5O5S\/c1-3-4-5-6-7-8-9-10-11-12-17-37(2)29(40)22-39-21-27(18-26-19-35-32(44)38(20-26)23-30(41)42)31(43)36-33(39)45-24-25-13-15-28(34)16-14-25\/h13-16,19-21H,3-12,17-18,22-24H2,1-2H3,(H,41,42)
InChIKey : IUZATYAEOSMZBW-UHFFFAOYSA-N
Other name(s) : SCHEMBL6946577,BDBM50097709,{5-[1-[(Dodecyl-methyl-carbamoyl)-methyl]-2-(4-fluoro-benzylsulfanyl)-4-oxo-1,4-dihydro-pyrimidin-5-ylmethyl]-2-oxo-2H-pyrimidin-1-yl}-acetic acid,1-(N-(1-Dodecyl)-N-methylaminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-(1-carboxymethyl-2-oxopyrimid-5-ylmethyl)pyrimidin-4-one,compound 23
MW : 641.8
Formula : C33H44FN5O5S
CAS_number :
PubChem : 9809899
UniChem : IUZATYAEOSMZBW-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL351434 ligand of proteins in family: PAF-Acetylhydrolase
Stucture :
Protein : human-PLA2G7
References (1)
| Title : The identification of a potent, water soluble inhibitor of lipoprotein-associated phospholipase A2 - Boyd_2001_Bioorg.Med.Chem.Lett_11_701 |
| Author(s) : Boyd HF , Hammond B , Hickey DM , Ife RJ , Leach CA , Lewis VA , Macphee CH , Milliner KJ , Pinto IL , Smith SA , Stansfield IG , Theobald CJ , Whittaker CM |
| Ref : Bioorganic & Medicinal Chemistry Lett , 11 :701 , 2001 |
| Abstract : Boyd_2001_Bioorg.Med.Chem.Lett_11_701 |
| ESTHER : Boyd_2001_Bioorg.Med.Chem.Lett_11_701 |
| PubMedSearch : Boyd_2001_Bioorg.Med.Chem.Lett_11_701 |
| PubMedID: 11266173 |