SCHEMBL21061872
General
Type : Benzoxazine, Piperidine
Chemical_Nomenclature : 6-(4-benzylpiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
Canonical SMILES : C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4
InChI : InChI=1S\/C21H22N2O3\/c24-20-14-26-19-7-6-17(13-18(19)22-20)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15\/h1-7,13,16H,8-12,14H2,(H,22,24)
InChIKey : HMRLNXQKADQRFT-UHFFFAOYSA-N
Other name(s) : AKOS016671767 || Z82337351 || Compound 7a || A1IA0
MW : 350.4
Formula : C21H22N2O3
CAS_number :
PubChem : 17456290
UniChem : HMRLNXQKADQRFT-UHFFFAOYSA-N
Target
Families : SCHEMBL21061872 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
9F8A
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 |