Adamantyl-trifluoro-methylphenyl-hydrazinylidene-oxobutanoate-Cpd3e
Porcine CE 0.013 +/- 0.001 microM; hCES1 0.059 +/- 0.005 microM; hCES2 0.00648 +/- 0.00052 microM
General
Type : Trifluoro, Hydrazide, Hydrazinylidene, Oxobutanoate, Adamantyl
Chemical_Nomenclature : Adamantyl(2Z)-4,4,4-trifluoro-2-[2-(4-methylphenyl)hydrazinylidene]-3-oxobutanoate
Canonical SMILES : C1=CC(=CC=C1C)NN=C(C(C(F)(F)F)=O)C(OC23CC4CC(C2)CC(C3)C4)=O
InChI : InChI=1S\/C21H23F3N2O3\/c1-12-2-4-16(5-3-12)25-26-17(18(27)21(22,23)24)19(28)29-20-9-13-6-14(10-20)8-15(7-13)11-20\/h2-5,13-15,25H,6-11H2,1H3
InChIKey : QXXNNRLWEPLQSL-UHFFFAOYSA-N
Other name(s) : Compound 3e
Target
Families : Adamantyl-trifluoro-methylphenyl-hydrazinylidene-oxobutanoate-Cpd3e ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES1
human-CES2
References (1)
| Title : Synthesis, molecular docking, and biological evaluation of 3-oxo-2-tolylhydrazinylidene-4,4,4-trifluorobutanoates bearing higher and natural alcohol moieties as new selective carboxylesterase inhibitors - Makhaeva_2019_Bioorg.Chem_91_103097 |
| Author(s) : Makhaeva GF , Elkina NA , Shchegolkov EV , Boltneva NP , Lushchekina SV , Serebryakova OG , Rudakova EV , Kovaleva NV , Radchenko EV , Palyulin VA , Burgart YV , Saloutin VI , Bachurin SO , Richardson RJ |
| Ref : Bioorg Chem , 91 :103097 , 2019 |
| Abstract : |
| PubMedSearch : Makhaeva_2019_Bioorg.Chem_91_103097 |
| PubMedID: 31323527 |