SCHEMBL23211786
IC50 human-MGLL 2.3 nM mouse-mgll 6.8 nM good solubility good penetrability
General
Type : Piperidine, Oxazine
Chemical_Nomenclature : (4aR,8aS)-6-(4-benzhydrylpiperidine-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)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI : InChI=1S\/C26H31N3O3\/c30-24-18-32-23-13-16-29(17-22(23)27-24)26(31)28-14-11-21(12-15-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20\/h1-10,21-23,25H,11-18H2,(H,27,30)\/t22-,23+\/m1\/s1
InChIKey : ARSYSYCENXVYHJ-PKTZIBPZSA-N
Other name(s) : A1IG3
MW : 433.5
Formula : C26H31N3O3
CAS_number :
PubChem : 155757153
UniChem : ARSYSYCENXVYHJ-PKTZIBPZSA-N
Target
Families : SCHEMBL23211786 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
9FY5
Protein :
human-MGLL
References (3)
| 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 |
| Title : Development of a Highly Selective NanoBRET Probe to Assess MAGL Inhibition in Live Cells - Gazzi_2024_Chembiochem__e202400704 |
| Author(s) : Gazzi T , Brennecke B , Olikauskas V , Hochstrasser R , Wang H , Keen Chao S , Atz K , Mostinski Y , Topp A , Heer D , Kaufmann I , Ritter M , Gobbi L , Hornsperger B , Wagner B , Richter H , O'Hara F , Wittwer MB , Jul Hansen D , Collin L , Kuhn B , Benz J , Grether U , Nazare M |
| Ref : Chembiochem , :e202400704 , 2024 |
| Abstract : |
| PubMedSearch : Gazzi_2024_Chembiochem__e202400704 |
| PubMedID: 39607084 |
| Gene_locus related to this paper: human-MGLL |
| Title : Novel Oxazine Monoacylglycerol Lipase (MAGL) Inhibitors - |
| Author(s) : Sabnis RW |
| Ref : ACS Med Chem Lett , 12 :312 , 2021 |
| PubMedID: 33738048 |
| Gene_locus related to this paper: human-MGLL |