General
Preferred name
ABX-1431
Synonyms
Elcubragistat ()
1,1,1,3,3,3-hexafluoropropan-2-yl 4-{[2-(pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxylate ()
Lu-AG-06466 ()
ABX1431 ()
P&D ID
PD086494
CAS
1446817-84-0
Tags
available
covalent binder
drug candidate
Drug indication
Tourette syndrome
Pain
Neuropathic pain
Drug Status
investigational
Max Phase
2.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Elcubragistat (ABX-1431) is a highly potent, selective, and orally available, CNS-penetrant monoacylglycerol lipase (MAGL) inhibitor with an IC50 of 14 nM.
PRICE
64
DESCRIPTION
ABX-1431 is a potent, orally available, and selective covalent (irreversible) inhibitor of monoacylglycerol lipase (MGLL) . It is one of the chemical structures that are claimed in patent WO2013103973A1 . MGLL inhibition increases the level of the endogenous cannabinoid receptor agonist 2-arachidonoylglycerol (2-AG) and CB1 receptor signalling in the central nervous system, and reduces arachidonic acid and eicosanoid levels to better regulate neurotransmission. Modulation of these neurotransmitter molecules induces antinociceptive, anxiolytic, and antineuroinflammatory effects, but is devoid of the psychoactive effects that would be produced by direct cannabinoid receptor activation. Target engagement by ABX-1431 in the brain has been confirmed in a PET occupancy study .
(GtoPdb)
DESCRIPTION
ABX-1431 is a highly potent, selective, and orally available, inhibitor of monoacylglycerol lipase.
(Enamine Bioactive Compounds)
DESCRIPTION
ABX-1431 is an inhibitor of monoacylglycerol lipase (MAGL; IC50s = 14 and 27 nM for human and rat enzyme, respectively).
(BOC Sciences Bioactive Compounds)
DESCRIPTION
ABX-1431 (Elcubragistat) is a selective and orally available CNS-penetrant monoacylglycerol lipase (MAGL/MGLL) inhibitor (IC50: 14 nM).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
16
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
CovalentInDB
Drug Repurposing Hub
DrugBank
DrugMAP
Enamine Bioactive Compounds
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
507.16
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
1
cLogP
5.05
TPSA
36.02
Fraction CSP3
0.65
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
MAGL
MAGL inhibitor
MOA
Lipase
Monoacylglycerol Lipase inhibitor
Pathway
Metabolic Enzyme/Protease
Metabolism
Source data
