SCHEMBL22491361
General
Type : Benzoxazine, Oxazine, Piperidine, Indole
Chemical_Nomenclature : 6-[4-(5-chloro-1H-indol-3-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
Canonical SMILES : C1CN(CCC1C2=CNC3=C2C=C(C=C3)Cl)C(=O)C4=CC5=C(C=C4)OCC(=O)N5
InChI : InChI=1S\/C22H20ClN3O3\/c23-15-2-3-18-16(10-15)17(11-24-18)13-5-7-26(8-6-13)22(28)14-1-4-20-19(9-14)25-21(27)12-29-20\/h1-4,9-11,13,24H,5-8,12H2,(H,25,27)
InChIKey : NRFBMOTXWSHNOV-UHFFFAOYSA-N
Other name(s) : Compound 7i || A1IA1
MW : 409.9
Formula : C22H20ClN3O3
CAS_number :
PubChem : 151245465
UniChem : NRFBMOTXWSHNOV-UHFFFAOYSA-N
Target
Families : SCHEMBL22491361 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
9F8D
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 |