covalent inhibitor
Type : Cyanide, Pyridine, Sulfur Compound
Chemical_Nomenclature : 5-[[4-(diethylamino)phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Canonical SMILES : CCN(CC)C1=CC=C(C=C1)C=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C
InChI : InChI=1S\/C22H25N3O4S\/c1-4-24(5-2)17-8-6-16(7-9-17)12-19-15(3)20(13-23)22(27)25(21(19)26)18-10-11-30(28,29)14-18\/h6-9,12,18H,4-5,10-11,14H2,1-3H3
InChIKey : UJQZZXDDELIDKS-UHFFFAOYSA-N
Other name(s) :
MW : 427.5
Formula : C22H25N3O4S
CAS_number :
PubChem : 3783706
UniChem : UJQZZXDDELIDKS-UHFFFAOYSA-N
Families : ZQ-7 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Protein :
human-MGLL
| Title : Discovery of new covalent inhibitors of monoacylglycerol lipase with the nitrile warhead via SCARdock - Wang_2025_Bioorg.Chem_159_108378 |
| Author(s) : Wang J , Shi X , Zheng Q , Shao P , Liu S |
| Ref : Bioorg Chem , 159 :108378 , 2025 |
| Abstract : |
| PubMedSearch : Wang_2025_Bioorg.Chem_159_108378 |
| PubMedID: 40107037 |