B401
human-EPHX2 IC50 0.4 nM; mouse-hyes IC50 0.5 nM; cLogP 3.83; LLE 5.57 || B401 inhibitor of Epoxide hydrolase developed as investigational new drug (IND) candidate for the management of lipopolysaccharide-induced sepsis
General
Type : Urea derivative,Adamantyl,Piperidine
Chemical_Nomenclature : 1-((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)-3-(4-(piperidine-1-carbonyl)phenyl)urea
Canonical SMILES : C1C3(CC2(CC1CC(C2)(C3)C)NC(NC4=CC=C(C=C4)C(N5CCCCC5)=O)=O)C
InChI : InChI=1S\/C25H35N3O2\/c1-23-12-18-13-24(2,15-23)17-25(14-18,16-23)27-22(30)26-20-8-6-19(7-9-20)21(29)28-10-4-3-5-11-28\/h6-9,18H,3-5,10-17H2,1-2H3,(H2,26,27,30)
InChIKey : MDTPGXBNIWVRJM-UHFFFAOYSA-N
Other name(s) :
MW : 409.57
Formula : C25H35N3O2
CAS_number :
PubChem :
UniChem : MDTPGXBNIWVRJM-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : B401 ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2 || mouse-hyes
References (1)
| Title : Discovery of memantyl urea derivatives as potent soluble epoxide hydrolase inhibitors against lipopolysaccharide-induced sepsis - Du_2021_Eur.J.Med.Chem_223_113678 |
| Author(s) : Du F , Sun W , Morisseau C , Hammock BD , Bao X , Liu Q , Wang C , Zhang T , Yang H , Zhou J , Xiao W , Liu Z , Chen G |
| Ref : Eur Journal of Medicinal Chemistry , 223 :113678 , 2021 |
| Abstract : Du_2021_Eur.J.Med.Chem_223_113678 |
| ESTHER : Du_2021_Eur.J.Med.Chem_223_113678 |
| PubMedSearch : Du_2021_Eur.J.Med.Chem_223_113678 |
| PubMedID: 34218083 |