CHEMBL1234565
General
Type : Pyridine,Nicotinamide,Carboxamide,Pyrazole
Chemical_Nomenclature : N-[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)phenyl]pyridine-3-carboxamide
Canonical SMILES : CCC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C4=CN=CC=C4
InChI : InChI=1S\/C22H19N5O\/c1-2-19-13-21(16-5-3-11-23-14-16)26-27(19)20-9-7-18(8-10-20)25-22(28)17-6-4-12-24-15-17\/h3-15H,2H2,1H3,(H,25,28)
InChIKey : CCAFHMPMIJBDRP-UHFFFAOYSA-N
Other name(s) : MZL,CHEMBL1234565,3otq,SCHEMBL3833306,BDBM50330097,N-(4-(5-ethyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)phenyl)nicotinamide
MW : 369.42
Formula : C22H19N5O
CAS_number :
PubChem : 9820664
UniChem : CCAFHMPMIJBDRP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL1234565 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3OTQ Soluble Epoxide Hydrolase in complex with pyrazole antagonist
Protein : human-EPHX2
References (1)
| Title : Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain - Lo_2010_Bioorg.Med.Chem.Lett_20_6379 |
| Author(s) : Lo HY , Man CC , Fleck RW , Farrow NA , Ingraham RH , Kukulka A , Proudfoot JR , Betageri R , Kirrane T , Patel U , Sharma R , Hoermann MA , Kabcenell A , Lombaert SD |
| Ref : Bioorganic & Medicinal Chemistry Lett , 20 :6379 , 2010 |
| Abstract : Lo_2010_Bioorg.Med.Chem.Lett_20_6379 |
| ESTHER : Lo_2010_Bioorg.Med.Chem.Lett_20_6379 |
| PubMedSearch : Lo_2010_Bioorg.Med.Chem.Lett_20_6379 |
| PubMedID: 20934334 |
| Gene_locus related to this paper: human-EPHX2 |