CHEMBL1630808
Ki nM HiCE 1.48 +/- 0.15; hCE1279 +/- 45; AChE >100,000; BChE >100,000;IC50 nM HiCE 54 nM
General
Type : Pyridine
Chemical_Nomenclature : 2,4-dichloro-N-[3-(2-oxo-2-pyridin-2-ylacetyl)phenyl]benzamide
Canonical SMILES : C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI : InChI=1S\/C20H12Cl2N2O3\/c21-13-7-8-15(16(22)11-13)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17\/h1-11H,(H,24,27)
InChIKey : SRWJPUABGKSYDP-UHFFFAOYSA-N
Other name(s) : Compound 15d || BDBM50332638 || 2,4-dichloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide
MW : 399.2
Formula : C20H12Cl2N2O3
CAS_number :
PubChem : 49857726
UniChem : SRWJPUABGKSYDP-UHFFFAOYSA-N
Target
Families : CHEMBL1630808 ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES2
References (1)
| Title : Structure-activity relationships of substituted 1-pyridyl-2-phenyl-1,2-ethanediones: potent, selective carboxylesterase inhibitors - Young_2010_J.Med.Chem_53_8709 |
| Author(s) : Young BM , Hyatt JL , Bouck DC , Chen T , Hanumesh P , Price J , Boyd VA , Potter PM , Webb TR |
| Ref : Journal of Medicinal Chemistry , 53 :8709 , 2010 |
| Abstract : |
| PubMedSearch : Young_2010_J.Med.Chem_53_8709 |
| PubMedID: 21105730 |