SCHEMBL27820343-CpdA3
human-CES2 IC50 0.92 +/- 0.15 microM
General
Type : Derivative of Donepezil, Indole, Inden
Chemical_Nomenclature : 2-benzylidene-5,6-dimethoxy-3H-inden-1-one
Canonical SMILES : COC1=C(C=C2C(=C1)CC(=CC3=CC=CC=C3)C2=O)OC
InChI : InChI=1S\/C18H16O3\/c1-20-16-10-13-9-14(8-12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2\/h3-8,10-11H,9H2,1-2H3
InChIKey : OFGKZKHSXFVVBV-UHFFFAOYSA-N
Other name(s) : SCHEMBL27820343 || NCI60_025350 || Compound A3
Target
Families : SCHEMBL27820343-CpdA3 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 |