Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: CHEMBL3402235

General
Type Pyridine
Chemical_Nomenclature N-methyl-1-(3-pyridin-3-ylphenyl)methanamine
Canonical SMILES CNCC1=CC=CC(=C1)C2=CN=CC=C2
InChI InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
InChIKey LZJRRTLTBULOHU-UHFFFAOYSA-N
Other name(s) 3C5 ; N-Methyl-N-(3-pyridin-3-ylbenzyl)amine; N-Methyl-N-3-(pyridin-3-yl)benzylamine ; CHEMBL3402235 ; Methyl({[3-(pyridin-3-yl)phenyl]methyl})amine; Benzenemethanamine,N-methyl-3-(3-pyridinyl)-
________________________________________________________________________________________________
MW|198.26
Formula|C13H14N2
CAS_number|852180-72-4
PubChem|7060576
UniChem|LZJRRTLTBULOHU-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHEMBL3402235 ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 4Y2P: Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL3402235
    Title: Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
    Amano Y, Tanabe E, Yamaguchi T
    Ref: Bioorganic & Medicinal Chemistry, :, 2015 : PubMed