CHEMBL45663-49N-4Y2Q
not really a good inhibitor IC50: 1.20e+6 (nM) using PHOME as substrate
General
Type : Piperazine,Pyridine,Trifluoro
Chemical_Nomenclature : 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Canonical SMILES : C1CN(CCN1)C2=C(C=CC=N2)C(F)(F)F
InChI : InChI=1S\/C10H12F3N3\/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16\/h1-3,14H,4-7H2
InChIKey : FRFKCMNQNNNZNO-UHFFFAOYSA-N
Other name(s) : 1-[3-(Trifluoromethyl)pyrid-2-yl]piperazine,1-(3-(trifluoromethyl)pyridin-2-yl)piperazine,1-(3-Trifluoromethyl-pyridin-2-yl)-piperazine,CHEMBL45663,SCHEMBL233710,ZINC2159227
MW : 231.22
Formula : C10H12F3N3
CAS_number : 87394-63-6
PubChem : 2777786
UniChem : FRFKCMNQNNNZNO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL45663-49N-4Y2Q ligand of proteins in family: Epoxide_hydrolase
Stucture : 4Y2Q Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Protein : human-EPHX2
References (1)
| Title : Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening - Amano_2015_Bioorg.Med.Chem_23_2310 |
| Author(s) : Amano Y , Tanabe E , Yamaguchi T |
| Ref : Bioorganic & Medicinal Chemistry , : , 2015 |
| Abstract : Amano_2015_Bioorg.Med.Chem_23_2310 |
| ESTHER : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedSearch : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedID: 25862210 |
| Gene_locus related to this paper: human-EPHX2 |