SCHEMBL19421059
General
Type : Azaspiro,Piperidine
Chemical_Nomenclature : 2-[4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
Canonical SMILES : C1CN(CCC1COC2=C(C=C(C=C2)F)Cl)C(=O)C3CC4(C3)COC(=O)N4
InChI : InChI=1S\/C19H22ClFN2O4\/c20-15-7-14(21)1-2-16(15)26-10-12-3-5-23(6-4-12)17(24)13-8-19(9-13)11-27-18(25)22-19\/h1-2,7,12-13H,3-6,8-11H2,(H,22,25)
InChIKey : ZXSYTHGPTJFVMM-UHFFFAOYSA-N
Other name(s) : SCHEMBL19409614,SCHEMBL19409616,SCHEMBL19421059,XOV
MW : 396.8
Formula : C19H22ClFN2O4
CAS_number :
PubChem : 130475941
UniChem : ZXSYTHGPTJFVMM-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : SCHEMBL19421059 ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture : 7L4W Crystal structure of human monoacylglycerol lipase in complex with compound SCHEMBL19421059
Protein : human-MGLL
References (1)
| Title : Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl Moiety - Ikeda_2021_J.Med.Chem__ |
| Author(s) : Ikeda S , Sugiyama H , Tokuhara H , Murakami M , Nakamura M , Oguro Y , Aida J , Morishita N , Sogabe S , Dougan DR , Gay SC , Qin L , Arimura N , Takahashi Y , Sasaki M , Kamada Y , Aoyama K , Kimoto K , Kamata M |
| Ref : Journal of Medicinal Chemistry , : , 2021 |
| Abstract : Ikeda_2021_J.Med.Chem__ |
| ESTHER : Ikeda_2021_J.Med.Chem__ |
| PubMedSearch : Ikeda_2021_J.Med.Chem__ |
| PubMedID: 34328319 |
| Gene_locus related to this paper: human-MGLL |