not really a good inhibitor IC50: 510 (nM) using PHOME as substrate, b ut better than many in the series
Type : Adamantyl
Chemical_Nomenclature : 2-[[2-(1-adamantyl)ethylamino]methyl]phenol
Canonical SMILES : C1C2CC3CC1CC(C2)(C3)CCNCC4=CC=CC=C4O
InChI : InChI=1S\/C19H27NO\/c21-18-4-2-1-3-17(18)13-20-6-5-19-10-14-7-15(11-19)9-16(8-14)12-19\/h1-4,14-16,20-21H,5-13H2
InChIKey : ZQPUAJLAXSAIEG-UHFFFAOYSA-N
Other name(s) : CHEMBL3402240 || 2-[({2-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]ethyl}amino)methyl]phenol || ZINC4560144 || BDBM50068104 || 4A0
Families : CHEMBL3402240-4A0-4Y2X ligand of proteins in family
Epoxide_hydrolase
Structure :
4Y2X
Protein :
human-EPHX2
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 : |
PubMedSearch : Amano_2015_Bioorg.Med.Chem_23_2310 |
PubMedID: 25862210 |
Gene_locus related to this paper: human-EPHX2 |