CHEMBL3402237-49Q-4Y2T
not really a good inhibitor IC50: 1.50e+5 (nM) using PHOME as substrate
General
Type :
Chemical_Nomenclature : 3-(4-phenylmethoxyphenyl)propan-1-ol
Canonical SMILES : C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCO
InChI : InChI=1S\/C16H18O2\/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15\/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKey : FZALPKMIIYFLAP-UHFFFAOYSA-N
Other name(s) : 3-(4-(Benzyloxy)phenyl)propan-1-ol,3-[4-(benzyloxy)phenyl]-1-propanol,3-[4-(benzyloxy)phenyl]propan-1-ol,CHEMBL3402237
MW : 242.31
Formula : C16H18O2
CAS_number : 61440-45-7
PubChem : 2764076
UniChem : FZALPKMIIYFLAP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3402237-49Q-4Y2T ligand of proteins in family: Epoxide_hydrolase
Stucture : 4Y2T Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol
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 |