ABX-1431
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Generic Name
- ABX-1431
- DrugBank Accession Number
- DB16036
- Background
ABX-1431 is under investigation in clinical trial NCT03625453 (Study of ABX-1431 in Adult Patients With Tourette Syndrome or Chronic Motor Tic Disorder).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 507.401
Monoisotopic: 507.156830427 - Chemical Formula
- C20H22F9N3O2
- Synonyms
- Not Available
- External IDs
- ABX-1431
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AMonoglyceride lipase inhibitorHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- FB39E94UXK
- CAS number
- 1446817-84-0
- InChI Key
- SQZJGTOZFRNWCX-UHFFFAOYSA-N
- 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
- IUPAC Name
- 1,1,1,3,3,3-hexafluoropropan-2-yl 4-{[2-(pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxylate
- SMILES
- FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 61719539
- BindingDB
- 180052
- ChEMBL
- CHEMBL3945728
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Gilles de la Tourette's Syndrome / Motor Tic Disorders 1 somestatus stop reason just information to hide 1 Completed Basic Science Chronic Motor Tic Disorder / Gilles de la Tourette's Syndrome 1 somestatus stop reason just information to hide 1 Completed Basic Science Pain 1 somestatus stop reason just information to hide 1 Completed Treatment Diabetic Peripheral Neuropathy (DPN) / Post-traumatic neuralgia / Postherpetic Neuralgia / Small Fibre Neuropathy 1 somestatus stop reason just information to hide 1 Completed Treatment Healthy Volunteers (HV) 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0211 mg/mL ALOGPS logP 5.09 ALOGPS logP 4.97 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 15.01 Chemaxon pKa (Strongest Basic) 6.37 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 36.02 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 105.06 m3·mol-1 Chemaxon Polarizability 41.21 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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1. DetailsMonoglyceride lipase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Converts monoacylglycerides to free fatty acids and glycerol (PubMed:19029917, PubMed:20079333, PubMed:21049984, PubMed:22969151, PubMed:24368842). Hydrolyzes the endocannabinoid 2-arachidonoylglycerol, and thereby contributes to the regulation of endocannabinoid signaling, nociperception and perception of pain (PubMed:19029917, PubMed:20079333, PubMed:21049984, PubMed:22969151, PubMed:24368842). Regulates the levels of fatty acids that serve as signaling molecules and promote cancer cell migration, invasion and tumor growth (PubMed:20079333)
- Specific Function
- acylglycerol lipase activity
- Gene Name
- MGLL
- Uniprot ID
- Q99685
- Uniprot Name
- Monoglyceride lipase
- Molecular Weight
- 33261.13 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at December 15, 2020 18:03 / Updated at October 08, 2024 10:24