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3. (R)-3t

(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

Target

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

Protein :
human-MGLL

References (1)

1. Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors

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

Array
(
    [id] => 2586
    [inhibitor] => (R)-3t
    [type] => Array
        (
            [0] => Pyrrolidine
            [1] => Piperazine
        )

    [other_name] => Array
        (
            [0] => CHEMBL4213030
            [1] => SCHEMBL16862036
            [2] => TQR0387
            [3] => BDBM50459645
            [4] => CHEMBL4210423
            [5] => SCHEMBL16862012
            [6] => TQR0386
            [7] => BDBM50459648
            [8] => CHEMBL4208986
            [9] => SCHEMBL18187814
        )

    [chemical_nomenclature] => (4R)-1-[3-fluoro-5-(2-methylpyridin-3-yl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one
    [formula] => C24H25FN6O
    [cas_number] => 
    [mw] => 432.5
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Aida_2018_J.Med.Chem_61_9205
    [comment] => IC50 3.6nM
    [gene_locus] => human-MGLL
    [kin_inhibitor] => 
    [cid] => 118196675 || 11819665 || 122654087
    [family] => Monoglyceridelipase_lysophospholip
    [inchikey] => KRTLYJDCOZBDAH-OAQYLSRUSA-N || KRTLYJDCOZBDAH-UHFFFAOYSA-N || KRTLYJDCOZBDAH-NRFANRHFSA-N
    [canonicalsmiles] => 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
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)