LEI-106
Dual DAGL alpha/ ABHD6 inhibitor. DAGL alpha Ki= 0.7 +/- 0.08 muM. ABHD6 Ki= 0.8 +/- 0.1 muM
General
Type : Sulfur Compound,Phenoxyphenyl,Sulfonamide
Chemical_Nomenclature : 2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[(4-phenoxyphenyl)methyl]amino]acetic acid
Canonical SMILES : CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC=C(C=C3)OC4=CC=CC=C4)CC(=O)O)C
InChI : InChI=1S\/C26H27NO6S\/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21\/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
InChIKey : FOEGBOXMDBPYEV-UHFFFAOYSA-N
Other name(s) : CHEMBL3319620,BDBM50048620,ZINC299817132
MW : 481.6
Formula : C26H27NO6S
CAS_number : 1620582-23-1
PubChem : 102340761
UniChem : FOEGBOXMDBPYEV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : LEI-106 ligand of proteins in family: Lipase_3 || ABHD6-Lip
Stucture :
Protein : human-DAGLA || human-ABHD6
References (1)
| Title : Discovery of Glycine Sulfonamides as Dual Inhibitors of sn-1-Diacylglycerol Lipase alpha and alpha\/beta-Hydrolase Domain 6 - Janssen_2014_J.Med.Chem_57_6610 |
| Author(s) : Janssen FJ , Deng H , Baggelaar MP , Allara M , van der Wel T , den Dulk H , Ligresti A , van Esbroeck AC , McGuire R , Di Marzo V , Overkleeft HS , van der Stelt M |
| Ref : Journal of Medicinal Chemistry , 57 :6610 , 2014 |
| Abstract : Janssen_2014_J.Med.Chem_57_6610 |
| ESTHER : Janssen_2014_J.Med.Chem_57_6610 |
| PubMedSearch : Janssen_2014_J.Med.Chem_57_6610 |
| PubMedID: 24988361 |