This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Xaliproden
- DrugBank Accession Number
- DB06393
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Xaliproden (DB06393)
- Weight
- Average: 381.442
Monoisotopic: 381.170434201 - Chemical Formula
- C24H22F3N
- Synonyms
- Xaliproden
- External IDs
- SR 57746
- SR 57746A
- SR-57746
Pharmacology
- Indication
Investigated for use/treatment in amyotrophic lateral sclerosis (ALS) and alzheimer's disease.
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Not Available
- Mechanism of action
Xaliproden is an orally-active, synthetic, non-peptidic 5-hydroxytryptamine (5-HT) 1A receptor agonist with neurotrophic and neuroprotective activities. Although its mechanism of action is not fully understood, xaliproden appears to either mimic the effects of neurotrophins or stimulate their synthesis, thereby stimulating neuronal cell differentiation and proliferation and inhibiting neuronal cell death. The neuroprotective effect of this agent involves the activation of MAP kinase pathways via stimulation of the 5-HT1A receptor.
Target Actions Organism U5-hydroxytryptamine receptor 1A Not Available Humans - 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
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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
Products
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Ingredient UNII CAS InChI Key Xaliproden Hydrochloride 44D5EE8E26 90494-79-4 WVHBEIJGAINUBW-UHFFFAOYSA-N
Categories
- ATC Codes
- N07XX03 — Xaliproden
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Not Available
- Direct Parent
- Naphthalenes
- Alternative Parents
- Trifluoromethylbenzenes / Phenethylamines / Aralkylamines / Hydropyridines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organofluorides / Hydrocarbon derivatives / Alkyl fluorides
- Substituents
- Alkyl fluoride / Alkyl halide / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Hydrocarbon derivative / Hydropyridine / Monocyclic benzene moiety / Naphthalene
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- tertiary amino compound, ring assembly, naphthalenes, tetrahydropyridine, (trifluoromethyl)benzenes (CHEBI:48520)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V8QL94KNQO
- CAS number
- 135354-02-8
- InChI Key
- WJJYZXPHLSLMGE-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2
- IUPAC Name
- 1-[2-(naphthalen-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine
- SMILES
- FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC3=CC=CC=C3C=C2)CC1
References
- General References
- Not Available
- External Links
- KEGG Drug
- D06327
- ChemSpider
- 114237
- BindingDB
- 82363
- ChEBI
- 48520
- ChEMBL
- CHEMBL1512580
- ZINC
- ZINC000000577115
- Wikipedia
- Xaliproden
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Prevention Colorectal Carcinoma (CRC) / Colorectal Neoplasms / Metastatic Cancer 2 3 Completed Treatment Alzheimer's Disease (AD) 2 3 Terminated Treatment Colorectal Neoplasms 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000229 mg/mL ALOGPS logP 6.26 ALOGPS logP 6.23 Chemaxon logS -6.2 ALOGPS pKa (Strongest Basic) 8.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 109.26 m3·mol-1 Chemaxon Polarizability 41.17 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serotonin receptor activity
- Specific Function
- G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various drugs and psychoactive substances. Ligand binding causes a conformation change that triggers...
- Gene Name
- HTR1A
- Uniprot ID
- P08908
- Uniprot Name
- 5-hydroxytryptamine receptor 1A
- Molecular Weight
- 46106.335 Da
Drug created at March 19, 2008 16:28 / Updated at February 21, 2021 18:52