SCHEMBL19834081
human-MAGLL IC50 15nM
General
Type : Piperidine
Chemical_Nomenclature : 6-[4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
Canonical SMILES : C1CN(CCC1COC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC4=C(C=C3)OCC(=O)N4
InChI : InChI=1S\/C21H20ClFN2O4\/c22-16-10-15(23)2-4-18(16)28-11-13-5-7-25(8-6-13)21(27)14-1-3-19-17(9-14)24-20(26)12-29-19\/h1-4,9-10,13H,5-8,11-12H2,(H,24,26)
InChIKey : UUUUFICXTVCJQV-UHFFFAOYSA-N
Other name(s) : XPD
MW : 418.8
Formula : C21H20ClFN2O4
CAS_number :
PubChem : 134226591
UniChem : UUUUFICXTVCJQV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : SCHEMBL19834081 ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture : 7L4T Crystal structure of human monoacylglycerol lipase in complex with compound SCHEMBL19834081
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 |