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(R)-3t

IC50 3.6nM

General

Type : Pyrrolidine,Piperazine

Chemical_Nomenclature : (4R)-1-[3-fluoro-5-(2-methylpyridin-3-yl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one

Canonical SMILES : CC1=C(C=CC=N1)C2=CC(=CC(=C2)F)N3CC(CC3=O)N4CCN(CC4)C5=NC=CC=N5

InChI : InChI=1S\/C24H25FN6O\/c1-17-22(4-2-5-26-17)18-12-19(25)14-20(13-18)31-16-21(15-23(31)32)29-8-10-30(11-9-29)24-27-6-3-7-28-24\/h2-7,12-14,21H,8-11,15-16H2,1H3\/t21-\/m1\/s1

InChIKey : KRTLYJDCOZBDAH-OAQYLSRUSA-N || KRTLYJDCOZBDAH-UHFFFAOYSA-N || KRTLYJDCOZBDAH-NRFANRHFSA-N

Other name(s) : CHEMBL4213030,SCHEMBL16862036,TQR0387,BDBM50459645,CHEMBL4210423,SCHEMBL16862012,TQR0386,BDBM50459648,CHEMBL4208986,SCHEMBL18187814

MW : 432.5

Formula : C24H25FN6O

CAS_number :

PubChem : 118196675, 11819665, 122654087

UniChem : KRTLYJDCOZBDAH-OAQYLSRUSA-N || KRTLYJDCOZBDAH-UHFFFAOYSA-N || KRTLYJDCOZBDAH-NRFANRHFSA-N

IUPHAR :

Wikipedia :

Target

Families : (R)-3t ligand of proteins in family: Monoglyceridelipase_lysophospholip

Stucture :

Protein : human-MGLL

References (1)

Title : Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors - Aida_2018_J.Med.Chem_61_9205
Author(s) : Aida J , Fushimi M , Kusumoto T , Sugiyama H , Arimura N , Ikeda S , Sasaki M , Sogabe S , Aoyama K , Koike T
Ref : Journal of Medicinal Chemistry , 61 :9205 , 2018
Abstract : Aida_2018_J.Med.Chem_61_9205
ESTHER : Aida_2018_J.Med.Chem_61_9205
PubMedSearch : Aida_2018_J.Med.Chem_61_9205
PubMedID: 30251836
Gene_locus related to this paper: human-MGLL