CES2-IN-Carbamate-Cpd14n
IC50 0.69 nM hCES2A
General
Type : Carbamate, Piperidine
Chemical_Nomenclature : (4-Benzyl-1-piperidinyl)(4-ethylmethylcarbamyl-3-methoxyphenyl)methanone
Canonical SMILES : O=C(C1=CC=C(OC(N(CC)C)=O)C(OC)=C1)N(CC2)CCC2CC3=CC=CC=C3 || CCN(C(OC1=C(C=C(C=C1)C(N2CCC(CC2)CC3=CC=CC=C3)=O)OC)=O)C
InChI : InChI=1S\/C24H30N2O4\/c1-4-25(2)24(28)30-21-11-10-20(17-22(21)29-3)23(27)26-14-12-19(13-15-26)16-18-8-6-5-7-9-18\/h5-11,17,19H,4,12-16H2,1-3H3
InChIKey : MYFMLWCQCGTXER-UHFFFAOYSA-N
Other name(s) : Compound 14n
Target
Families : CES2-IN-Carbamate-Cpd14n ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES2
References (1)
| Title : AI-Driven Discovery of Highly Specific and Efficacious hCES2A Inhibitors for Ameliorating Irinotecan-Triggered Gut Toxicity - Sang_2025_J.Med.Chem__ |
| Author(s) : Sang Z , Zhang Y , Fan Y , Luan C , Liu Z , Zhang Q , Zeng H , Song Y , Huang S , Ge G |
| Ref : Journal of Medicinal Chemistry , : , 2025 |
| Abstract : |
| PubMedSearch : Sang_2025_J.Med.Chem__ |
| PubMedID: 40073334 |