IC50 human-EPHX2 0.852 +/- 0.014 microM
Type : Imidazole, Benzodioxo
Chemical_Nomenclature : 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
Canonical SMILES : COC1=CC=C(C=C1)CCNC(=O)CC[C@H]2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4 || COC1=CC=C(C=C1)CCNC(=O)CC[C@@H]2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4 || COC1=CC=C(C=C1)CCNC(=O)CCC2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4
InChI : InChI=1S\/C23H25N3O6\/c1-30-17-5-2-15(3-6-17)10-11-24-21(27)9-7-18-22(28)26(23(29)25-18)13-16-4-8-19-20(12-16)32-14-31-19\/h2-6,8,12,18H,7,9-11,13-14H2,1H3,(H,24,27)(H,25,29)\/t18-\/m0\/s1 || InChI=1S\/C23H25N3O6\/c1-30-17-5-2-15(3-6-17)10-11-24-21(27)9-7-18-22(28)26(23(29)25-18)13-16-4-8-19-20(12-16)32-14-31-19\/h2-6,8,12,18H,7,9-11,13-14H2,1H3,(H,24,27)(H,25,29)\/t18-\/m1\/s1 || InChI=1S\/C23H25N3O6\/c1-30-17-5-2-15(3-6-17)10-11-24-21(27)9-7-18-22(28)26(23(29)25-18)13-16-4-8-19-20(12-16)32-14-31-19\/h2-6,8,12,18H,7,9-11,13-14H2,1H3,(H,24,27)(H,25,29)
InChIKey : AOGNVPQRXVHREZ-SFHVURJKSA-N || AOGNVPQRXVHREZ-GOSISDBHSA-N || AOGNVPQRXVHREZ-UHFFFAOYSA-N
Other name(s) : (S)-3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl)-N-(4-methoxyphenethyl)propanamide || AKOS025145941 || CNP0403849.1 || 3-{1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2,5-DIOXOIMIDAZOLIDIN-4-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]PROPANAMIDE || 3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide || EiM08-36342 || STL541276 || AKOS037498749 || 3-[1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide || 3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
MW : 439.5
Formula : C23H25N3O6
CAS_number :
PubChem : 75491912, 99871496, 75357190
UniChem : AOGNVPQRXVHREZ-SFHVURJKSA-N, AOGNVPQRXVHREZ-GOSISDBHSA-N, AOGNVPQRXVHREZ-UHFFFAOYSA-N
Families : CNP0403849-1 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
| Title : Identification of soluble epoxide hydrolase inhibitors from natural products via structure-based virtual screening, in vitro assays, and molecular dynamics simulations - Liqun_2026_Mol.Divers__ |
| Author(s) : Liqun Z , Wenyi W , Jingyi H , Xiaoyang L , Xiaoxian G , Zheming H , Yang L |
| Ref : Mol Divers , : , 2026 |
| Abstract : |
| PubMedSearch : Liqun_2026_Mol.Divers__ |
| PubMedID: 42423921 |
| Gene_locus related to this paper: human-EPHX2 |