1-Dodecylindoline-2,3-dione
Ki microM human-CES2 0.008+/- 0.001 human-CES2 0.010+/-0.002 rabbit liver carboxylesteraser 0.088 +/6 0.006 AChE >100 BChE >100
General
Type : Indole
Chemical_Nomenclature : 1-dodecylindole-2,3-dione
Canonical SMILES : CCCCCCCCCCCCN1C2=CC=CC=C2C(=O)C1=O
InChI : InChI=1S\/C20H29NO2\/c1-2-3-4-5-6-7-8-9-10-13-16-21-18-15-12-11-14-17(18)19(22)20(21)23\/h11-12,14-15H,2-10,13,16H2,1H3
InChIKey : GQEQKTGRIPEAKW-UHFFFAOYSA-N
Other name(s) : CHEMBL222644,1-Dodecyl-1H-indole-2,3-dione,1-dodecyl-isatin,Isatin-based compound, 62,SCHEMBL3016105,ZINC2272127
MW : 315.4
Formula : C20H29NO2
CAS_number :
PubChem : 1897797
UniChem : GQEQKTGRIPEAKW-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 1-Dodecylindoline-2,3-dione ligand of proteins in family: Carb_B_Chordata
Stucture :
Protein : human-CES2 || human-CES1
References (1)
| Title : Selective inhibition of carboxylesterases by isatins, indole-2,3-diones - Hyatt_2007_J.Med.Chem_50_1876 |
| Author(s) : Hyatt JL , Moak T , Hatfield MJ , Tsurkan L , Edwards CC , Wierdl M , Danks MK , Wadkins RM , Potter PM |
| Ref : Journal of Medicinal Chemistry , 50 :1876 , 2007 |
| Abstract : Hyatt_2007_J.Med.Chem_50_1876 |
| ESTHER : Hyatt_2007_J.Med.Chem_50_1876 |
| PubMedSearch : Hyatt_2007_J.Med.Chem_50_1876 |
| PubMedID: 17378546 |