Thiazol-abietane-Cpd18
IC50 3.4 +/- 0.2 muM ABHD16A relatively specific
General
Type : Thiazol, Sulfur Compound, Phenanthrene
Chemical_Nomenclature : methyl (1R,4aS,10aR)-1,4a-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Canonical SMILES : CC1=NC(=CS1)C2=C(C=C3CCC4C(C3=C2)(CCCC4(C)C(=O)OC)C)C(C)C
InChI : InChI=1S\/C25H33NO2S\/c1-15(2)18-12-17-8-9-22-24(4,10-7-11-25(22,5)23(27)28-6)20(17)13-19(18)21-14-29-16(3)26-21\/h12-15,22H,7-11H2,1-6H3\/t22-,24-,25-\/m1\/s1
InChIKey : CVFGJZXQYUFPOH-QLBJFCOMSA-N
Other name(s) : CHEMBL4585683, BDBM50507488
MW : 411.6
Formula : 25H33NO2S
CAS_number :
PubChem : 155566759
UniChem : CVFGJZXQYUFPOH-QLBJFCOMSA-N
Target
Families : Thiazol-abietane-Cpd18 ligand of proteins in family
ABHD16
Protein :
human-ABHD16A
References (2)
| Title : Probing the Interactions of Thiazole Abietane Inhibitors with the Human Serine Hydrolases ABHD16A and ABHD12 - Ahonen_2023_ACS.Med.Chem.Lett_14_1404 |
| Author(s) : Ahonen TJ , Ng CP , Farinha B , Almeida B , Victor BL , Reynolds C , Kalso E , Yli-Kauhaluoma J , Greaves J , Moreira VM |
| Ref : ACS Med Chem Lett , 14 :1404 , 2023 |
| PubMedID: 37849541 |
| Gene_locus related to this paper: human-ABHD12 , human-ABHD16A |
| Title : Discovery of 12-Thiazole Abietanes as Selective Inhibitors of the Human Metabolic Serine Hydrolase hABHD16A - Ahonen_2018_ACS.Med.Chem.Lett_9_1269 |
| Author(s) : Ahonen TJ , Savinainen JR , Yli-Kauhaluoma J , Kalso E , Laitinen JT , Moreira VM |
| Ref : ACS Med Chem Lett , 9 :1269 , 2018 |
| PubMedID: 30613338 |
| Gene_locus related to this paper: human-ABHD16A |