ABX-1431
Monoacylglycerol lipase (human-MGLL) inhibitor (IC50 14 nM) .Increases brain 2-AG concentrations, and suppresses pain behavior. ABX-1431 has been shown to reduce tics in patients with Tourette syndrome || Elcubragistat is an orally bioavailable inhibitor of the serine hydrolase monoacylglycerol lipase (MGLL), with potential use for the treatment of various central nervous system (CNS) diseases and with potential analgesic and anti-neuroinflammatory activities. ABX-1431 is under investigation in clinical trial NCT03625453 (Study of ABX-1431 in Adult Patients With Tourette Syndrome or Chronic Motor Tic Disorder)
General
Type : Piperazine, Carbamate, Pyrrolidine, Trifluoro
Chemical_Nomenclature : 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
Canonical SMILES : C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI : InChI=1S\/C20H22F9N3O2\/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29\/h3-4,11,16H,1-2,5-10,12H2
InChIKey : SQZJGTOZFRNWCX-UHFFFAOYSA-N
Other name(s) : CHEMBL3945728 || SCHEMBL15100632 || GTPL10062 || Compound 28 || Lu AG06466 || Elcubragistat || ABX1431
MW : 507.4
Formula : C20H22F9N3O2
CAS_number : 1446817-84-0
PubChem : 71657619
UniChem : SQZJGTOZFRNWCX-UHFFFAOYSA-N
Target
Families : ABX-1431 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Protein :
human-MGLL
References (14)
| Title : Acute Effects of Monoacylglycerol Lipase Inhibitor ABX1431 on Neuronal Hyperexcitability, Nociception, Locomotion, and the Endocannabinoid System in HIV-1 Tat Male Mice - Yadav-Samudrala_2024_Cannabis.Cannabinoid.Res__ |
| Author(s) : Yadav-Samudrala BJ , Ravula HP , Barmada KM , Dodson H , Poklis JL , Ignatowska-Jankowska BM , Lichtman AH , Reissner KJ , Fitting S |
| Ref : Cannabis Cannabinoid Res , : , 2024 |
| Abstract : |
| PubMedSearch : Yadav-Samudrala_2024_Cannabis.Cannabinoid.Res__ |
| PubMedID: 38394322 |
| Gene_locus related to this paper: human-MGLL |
| Title : Monoacylglycerol Lipase Inhibition Using ABX-1431 Attenuates Cerebral Ischaemia Early After Traumatic Brain Injury - Bragin_2024_Adv.Exp.Med.Biol_1463_109 |
| Author(s) : Bragin DE , Bragina OA , Covey DP , Trofimov AO , Nemoto EM , Mayer AR |
| Ref : Advances in Experimental Medicine & Biology , 1463 :109 , 2024 |
| Abstract : |
| PubMedSearch : Bragin_2024_Adv.Exp.Med.Biol_1463_109 |
| PubMedID: 39400809 |
| Gene_locus related to this paper: human-MGLL |
| Title : Supervised screening of Tecovirimat-like compounds as potential inhibitors for the monkeypox virus E8L protein - Mehmood_2023_J.Biomol.Struct.Dyn__1 |
| Author(s) : Mehmood A , Nawab S , Jia G , Kaushik AC , Wei DQ |
| Ref : J Biomol Struct Dyn , :1 , 2023 |
| Abstract : |
| PubMedSearch : Mehmood_2023_J.Biomol.Struct.Dyn__1 |
| PubMedID: 37561169 |
| Gene_locus related to this paper: human-MGLL |
| Title : The Monoacylglycerol Lipase Inhibitor ABX-1431 Does Not Improve Alcoholic Liver Disease - Lucitti_2023_Cannabis.Cannabinoid.Res__ |
| Author(s) : Lucitti JL , Laudermilk LT , Amato GS , Maitra R |
| Ref : Cannabis Cannabinoid Res , : , 2023 |
| Abstract : |
| PubMedSearch : Lucitti_2023_Cannabis.Cannabinoid.Res__ |
| PubMedID: 37253145 |
| Title : ABX-1431 inhibits the development of endometrial adenocarcinoma and reverses progesterone resistance by targeting MGLL - Ma_2022_Cell.Death.Dis_13_1067 |
| Author(s) : Ma X , Xia M , Wei L , Guo K , Sun R , Liu Y , Qiu C , Jiang J |
| Ref : Cell Death Dis , 13 :1067 , 2022 |
| Abstract : |
| PubMedSearch : Ma_2022_Cell.Death.Dis_13_1067 |
| PubMedID: 36550099 |
| Gene_locus related to this paper: human-MGLL |
| Title : Hexafluoroisopropyl carbamates as selective MAGL and dual MAGL\/FAAH inhibitors: biochemical and physicochemical properties - Barth_2022_ChemMedChem__ |
| Author(s) : Barth M , Rudolph S , Kampschulze J , Meyer Zu Vilsendorf I , Hanekamp W , Mulac D , Langer K , Lehr M |
| Ref : ChemMedChem , : , 2022 |
| Abstract : |
| PubMedSearch : Barth_2022_ChemMedChem__ |
| PubMedID: 35072346 |
| Gene_locus related to this paper: human-MGLL |
| Title : Cannabis-based medicine in treatment of patients with Gilles de la Tourette syndrome - Szejko_2022_Neurol.Neurochir.Pol_56_28 |
| Author(s) : Szejko N , Saramak K , Lombroso A , Muller-Vahl K |
| Ref : Neurol Neurochir Pol , 56 :28 , 2022 |
| Abstract : |
| PubMedSearch : Szejko_2022_Neurol.Neurochir.Pol_56_28 |
| PubMedID: 34708399 |
| Gene_locus related to this paper: human-MGLL |
| Title : The endocannabinoid system impacts seizures in a mouse model of Dravet syndrome - Anderson_2022_Neuropharmacol_205_108897 |
| Author(s) : Anderson LL , Doohan PT , Hawkins NA , Bahceci D , Garai S , Thakur GA , Kearney JA , Arnold JC |
| Ref : Neuropharmacology , 205 :108897 , 2022 |
| Abstract : |
| PubMedSearch : Anderson_2022_Neuropharmacol_205_108897 |
| PubMedID: 34822817 |
| Gene_locus related to this paper: human-MGLL |
| Title : Chemical Probes to Control and Visualize Lipid Metabolism in the Brain - Punt_2022_Acc.Chem.Res_55_3205 |
| Author(s) : Punt JM , van der Vliet D , van der Stelt M |
| Ref : Acc Chem Res , 55 :3205 , 2022 |
| Abstract : |
| PubMedSearch : Punt_2022_Acc.Chem.Res_55_3205 |
| PubMedID: 36283077 |
| Gene_locus related to this paper: human-MGLL |
| Title : Monoacylglycerol Lipase Inhibition in Tourette Syndrome: A 12-Week, Randomized, Controlled Study - Muller-Vahl_2021_Mov.Disord__ |
| Author(s) : Muller-Vahl KR , Fremer C , Beals C , Ivkovic J , Loft H , Schindler C |
| Ref : Movement Disorder , : , 2021 |
| Abstract : |
| PubMedSearch : Muller-Vahl_2021_Mov.Disord__ |
| PubMedID: 34117788 |
| Title : Endocannabinoid Modulation Using Monoacylglycerol Lipase Inhibition in Tourette Syndrome: A Phase 1 Randomized, Placebo-Controlled Study - Muller-Vahl_2021_Pharmacopsychiatry__ |
| Author(s) : Muller-Vahl KR , Fremer C , Beals C , Ivkovic J , Loft H , Schindler C |
| Ref : Pharmacopsychiatry , : , 2021 |
| Abstract : |
| PubMedSearch : Muller-Vahl_2021_Pharmacopsychiatry__ |
| PubMedID: 34847610 |
| Gene_locus related to this paper: human-MGLL |
| Title : Monoacylglycerol lipase inhibitors: modulators for lipid metabolism in cancer malignancy, neurological and metabolic disorders - Deng_2020_Acta.Pharm.Sin.B_10_582 |
| Author(s) : Deng H , Li W |
| Ref : Acta Pharm Sin B , 10 :582 , 2020 |
| Abstract : |
| PubMedSearch : Deng_2020_Acta.Pharm.Sin.B_10_582 |
| PubMedID: 32322464 |
| Title : Activity-Based Protein Profiling Delivers Selective Drug Candidate ABX-1431, a Monoacylglycerol Lipase Inhibitor, To Control Lipid Metabolism in Neurological Disorders - Jiang_2018_J.Med.Chem_61_9059 |
| Author(s) : Jiang M , van der Stelt M |
| Ref : Journal of Medicinal Chemistry , 61 :9059 , 2018 |
| Abstract : |
| PubMedSearch : Jiang_2018_J.Med.Chem_61_9059 |
| PubMedID: 30354159 |
| Title : Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders - Cisar_2018_J.Med.Chem_61_9062 |
| Author(s) : Cisar JS , Weber OD , Clapper JR , Blankman JL , Henry CL , Simon GM , Alexander JP , Jones TK , Ezekowitz RAB , O'Neill GP , Grice CA |
| Ref : Journal of Medicinal Chemistry , 61 :9062 , 2018 |
| Abstract : |
| PubMedSearch : Cisar_2018_J.Med.Chem_61_9062 |
| PubMedID: 30067909 |