CHEMBL6035930-Cpd14a
Specific inhibitor of ABHD6 IC50 84nM; inactive at 1 microM on hMGLL and hFAAH
General
Type : Trifluoro, Isoquinoline, Carboxylate
Chemical_Nomenclature : 1,1,1,3,3,3-hexafluoropropan-2-yl 3,4-dihydro-1H-isoquinoline-2-carboxylate
Canonical SMILES : C1CN(CC2=CC=CC=C21)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI : InChI=1S\/C13H11F6NO2\/c14-12(15,16)10(13(17,18)19)22-11(21)20-6-5-8-3-1-2-4-9(8)7-20\/h1-4,10H,5-7H2
InChIKey : KZMGERNGWDRNGP-UHFFFAOYSA-N
Other name(s) : US10662159, Example 1 || CHEMBL6035930 || SCHEMBL20983734 || KZMGERNGWDRNGP-UHFFFAOYSA-N || BDBM444416
MW : 327.22
Formula : C13H11F6NO2
CAS_number :
PubChem : 138619077
UniChem : KZMGERNGWDRNGP-UHFFFAOYSA-N
Target
Families : CHEMBL6035930-Cpd14a ligand of proteins in family
ABHD6-Lip
Protein :
mouse-ABHD6
human-ABHD6
References (1)
| Title : Design and Synthesis of Highly Potent and Specific ABHD6 Inhibitors - Malamas_2021_ChemMedChem__ |
| Author(s) : Malamas MS , Lamani M , Farah SI , Mohammad KA , Miyabe CY , Rajarshi G , Wu S , Zvonok N , Chandrashekhar H , Wood J , Makriyannis A |
| Ref : ChemMedChem , : , 2021 |
| Abstract : |
| PubMedSearch : Malamas_2021_ChemMedChem__ |
| PubMedID: 34486233 |
| Gene_locus related to this paper: human-ABHD6 , mouse-ABHD6 |