CHEMBL1375713
General
Type : Sulfur Compound
Chemical_Nomenclature : 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
Canonical SMILES : CC1=CC=C(S1)CNCCC2=CC=CC=C2F
InChI : InChI=1S\/C14H16FNS\/c1-11-6-7-13(17-11)10-16-9-8-12-4-2-3-5-14(12)15\/h2-7,16H,8-10H2,1H3
InChIKey : NZNHJQFNTSWMCR-UHFFFAOYSA-N
Other name(s) : AN-465\/42767298,N-[2-(2-fluorophenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]amine,BAS 10139544,AC1LYA64,49Z
MW : 249.34
Formula : C14H16FNS
CAS_number :
PubChem : 1817785
UniChem : NZNHJQFNTSWMCR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL1375713 ligand of proteins in family: Epoxide_hydrolase
Stucture : 4Y2Y Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
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 |