Ethyl-methyl-phenolidene-dimethoxy-inden-benzenecarbamate-cpdC3
human-CES2 IC50 0.56 +/- 0.03 microM. As C3 is a covalent, time dpendant inhibitor the IC50 is measured after 30min inhibition
General
Type : Derivative of Donepezil, Indole, Inden, Carbamate
Chemical_Nomenclature : 1-Ethyl 1-methyl o-[(E)-(5,6-dimethoxy-1-oxo-2-indanylidene)methyl]benzenecarbamate
Canonical SMILES : C1(=C(C=C2C(=C1)C(C(C2)=CC3=CC=CC=C3OC(=O)N(C)CC)=O)OC)OC
InChI : InChI=1S\/C22H23NO5\/c1-5-23(2)22(25)28-18-9-7-6-8-14(18)10-16-11-15-12-19(26-3)20(27-4)13-17(15)21(16)24\/h6-10,12-13H,5,11H2,1-4H3
InChIKey : XIJJBUIWKBNADY-UHFFFAOYSA-N
Other name(s) : Compound C3 || 1-ethyl 1-methyl 2-[(1E)-(5,6-dimethoxy-1-oxoindan-2-ylidene)methyl]benzene-1-carbamate
Target
Families : Ethyl-methyl-phenolidene-dimethoxy-inden-benzenecarbamate-cpdC3 ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES2
References (1)
| Title : Discovery of orally active and serine-targeting covalent inhibitors against hCES2A for ameliorating irinotecan-triggered gut toxicity - Zhang_2025_Acta.Pharm.Sin.B_15_5312 |
| Author(s) : Zhang Y , Fan Y , Song Y , Zhu G , Li X , Huang J , Guo X , Luan C , Kang D , Chen L , Xiao Z , Guo Z , Zeng H , Chen D , Sang Z , Ge G |
| Ref : Acta Pharm Sin B , 15 :5312 , 2025 |
| Abstract : |
| PubMedSearch : Zhang_2025_Acta.Pharm.Sin.B_15_5312 |
| PubMedID: 41132852 |