CHEMBL4644372
sEH IC50 0.5 +/- 0.2 microM LTA4-hydrolase IC50 0.75 +/- 0.09 microM
General
Type : LTA4-hydrolase-inhibitor, Multitarget, Sulfur Compound, Piperidine, Thiophen
Chemical_Nomenclature : 3-(4-phenylmethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
Canonical SMILES : C1CN(CCC1CNC(=O)CCC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CS4
InChI : InChI=1S\/C27H32N2O2S\/c30-27(28-19-23-14-16-29(17-15-23)20-26-7-4-18-32-26)13-10-22-8-11-25(12-9-22)31-21-24-5-2-1-3-6-24\/h1-9,11-12,18,23H,10,13-17,19-21H2,(H,28,30)
InChIKey : AUCUDIHVOWJNEE-UHFFFAOYSA-N
Other name(s) : BDBM50541953 || Compound 4c
MW : 448.6
Formula : C27H32N2O2S
CAS_number :
PubChem : 156018309
UniChem : AUCUDIHVOWJNEE-UHFFFAOYSA-N
Target
Families : CHEMBL4644372 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (3)
| 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 : 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 : 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 |