SCHEMBL22462763
General
Type : Piperidine, Trifluoro, Oxazine
Chemical_Nomenclature : (4aR,8aS)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
Canonical SMILES : C1CN(C[C@@H]2[C@H]1OCC(=O)N2)C(=O)N3CCC(CC3)CC4=CC=C(C=C4)C(F)(F)F
InChI : InChI=1S\/C21H26F3N3O3\/c22-21(23,24)16-3-1-14(2-4-16)11-15-5-8-26(9-6-15)20(29)27-10-7-18-17(12-27)25-19(28)13-30-18\/h1-4,15,17-18H,5-13H2,(H,25,28)\/t17-,18+\/m1\/s1
InChIKey : YUPLWIRVNVZRHU-MSOLQXFVSA-N
Other name(s) : US11802133 Example 8 || BDBM631159 || US11802133 Example 11 || Compound 7n || A1IA3
MW : 425.4
Formula : C21H26F3N3O3
CAS_number :
PubChem : 155141987
UniChem : YUPLWIRVNVZRHU-MSOLQXFVSA-N
Target
Families : SCHEMBL22462763 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
9F8B
Protein :
human-MGLL
References (1)
| Title : Structure-Guided Discovery of cis-Hexahydro-pyrido-oxazinones as Reversible, Drug-like Monoacylglycerol Lipase Inhibitors - Kuhn_2024_J.Med.Chem__ |
| Author(s) : Kuhn B , Ritter M , Hornsperger B , Bell C , Kocer B , Rombach D , Lutz MDR , Gobbi L , Kuratli M , Bartelmus C , Burkler M , Koller R , Tosatti P , Ruf I , Guerard M , Pavlovic A , Stephanus J , O'Hara F , Wetzl D , Saal W , Stihle M , Roth D , Hug M , Huber S , Heer D , Kroll C , Topp A , Schneider M , Gertsch J , Glasmacher S , van der Stelt M , Martella A , Wittwer MB , Collin L , Benz J , Richter H , Grether U |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Kuhn_2024_J.Med.Chem__ |
| PubMedID: 39360636 |
| Gene_locus related to this paper: human-MGLL |