CHEMBL3402237-49Q-4Y2T
EPHX2. Not really a good inhibitor IC50: 1.50e+5 (nM) 150 microM using PHOME as substrate starting point for search of dual inhibitors with LTA4H
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 || SCHEMBL1563277 || 49Q
MW : 242.31
Formula : C16H18O2
CAS_number : 61440-45-7
PubChem : 2764076
UniChem : FZALPKMIIYFLAP-UHFFFAOYSA-N
Target
Families : CHEMBL3402237-49Q-4Y2T ligand of proteins in family
Epoxide_hydrolase
Structure :
4Y2T
Protein :
human-EPHX2
References (2)
| Title : Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase - Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| Author(s) : Hefke L , Hiesinger K , Zhu WF , Kramer JS , Proschak E |
| Ref : ACS Med Chem Lett , 11 :1244 , 2020 |
| Abstract : |
| PubMedSearch : Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| PubMedID: 32551007 |
| 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 |