Dexpramipexole
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Dexpramipexole
- DrugBank Accession Number
- DB15130
- Background
Dexpramipexole is under investigation in clinical trial NCT01511029 (Study to Evaluate the QTC Interval in Healthy Volunteers Dosed With Dexpramipexole (QTC = Electrocardiogram (ECG) Interval Measured From the Onset of the QRS Complex to the End of the T Wave Corrected for Heart Rate)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 211.33
Monoisotopic: 211.114318733 - Chemical Formula
- C10H17N3S
- Synonyms
- Dexpramipexole
- External IDs
- KNS-760704
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AInterleukin-4 inhibitorHumans AInterleukin-13 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmisulpride The therapeutic efficacy of Dexpramipexole can be decreased when used in combination with Amisulpride. Aripiprazole The therapeutic efficacy of Dexpramipexole can be decreased when used in combination with Aripiprazole. Aripiprazole lauroxil The therapeutic efficacy of Dexpramipexole can be decreased when used in combination with Aripiprazole lauroxil. Asenapine The therapeutic efficacy of Dexpramipexole can be decreased when used in combination with Asenapine. Brexpiprazole The therapeutic efficacy of Dexpramipexole can be decreased when used in combination with Brexpiprazole. - Food Interactions
- Not Available
Categories
- Drug Categories
- Anti-Dyskinesia Agents
- Anti-Parkinson Agents (Dopamine Agonist)
- Anti-Parkinson Drugs
- Antioxidants
- Benzothiazoles
- Biological Factors
- Central Nervous System Agents
- Compounds used in a research, industrial, or household setting
- Dopamine Agents
- Dopamine Agonists
- Heterocyclic Compounds, Fused-Ring
- Neurotransmitter Agents
- Protective Agents
- Sulfur Compounds
- Thiazoles
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- WI638GUS96
- CAS number
- 104632-28-2
- InChI Key
- FASDKYOPVNHBLU-SSDOTTSWSA-N
- InChI
- InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
- IUPAC Name
- (6R)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
- SMILES
- CCCN[C@@H]1CCC2=C(C1)SC(N)=N2
References
- General References
- Not Available
- External Links
- ChemSpider
- 54002
- ChEMBL
- CHEMBL249420
- ZINC
- ZINC000003831352
- PharmGKB
- PA164742949
- Wikipedia
- Dexpramipexole
Clinical Trials
- Clinical Trials
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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 0.14 mg/mL ALOGPS logP 2.18 ALOGPS logP 1.76 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 17.66 Chemaxon pKa (Strongest Basic) 10.31 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 50.94 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 59.77 m3·mol-1 Chemaxon Polarizability 24.56 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-03di-0090000000-5bb3af51778261380cd5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0090000000-a167e14cd813f750232a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0390000000-ad9548caaff7e77ef83e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0390000000-f0111512206cbd0f2144 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fsr-1900000000-10e64efe5ca7fb35f1c6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-1900000000-8a4c96caaadc9adae625 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 151.232993 predictedDarkChem Lite v0.1.0 [M+H]+ 150.540493 predictedDarkChem Lite v0.1.0 [M+Na]+ 151.779493 predictedDarkChem Lite v0.1.0
Targets
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1. DetailsInterleukin-4
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Cytokine secreted primarily by mast cells, T-cells, eosinophils, and basophils that plays a role in regulating antibody production, hematopoiesis and inflammation, and the development of effector T-cell responses (PubMed:1993171, PubMed:3016727). Induces the expression of class II MHC molecules on resting B-cells. Enhances both secretion and cell surface expression of IgE and IgG1 (PubMed:1993171). Regulates also the expression of the low affinity Fc receptor for IgE (CD23) on both lymphocytes and monocytes (PubMed:2521231). Positively regulates IL31RA expression in macrophages. Stimulates autophagy in dendritic cells by interfering with mTORC1 signaling and through the induction of RUFY4. In addition, plays a critical role in higher functions of the normal brain, such as memory and learning (By similarity). Upon binding to IL4, IL4R receptor dimerizes either with the common IL2R gamma chain/IL2RG to produce the type 1 signaling complex, located mainly on hematopoietic cells, or with the IL13RA1 to produce the type 2 complex, which is expressed also on nonhematopoietic cells (PubMed:10219247, PubMed:11526337, PubMed:18243101). Engagement of both types of receptors initiates JAK3 and to a lower extend JAK1 phosphorylation leading to activation of the signal transducer and activator of transcription 6/STAT6 (PubMed:7721895)
- Specific Function
- cytokine activity
- Gene Name
- IL4
- Uniprot ID
- P05112
- Uniprot Name
- Interleukin-4
- Molecular Weight
- 17492.09 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]
2. DetailsInterleukin-13
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Cytokine that plays important roles in allergic inflammation and immune response to parasite infection (PubMed:8096327, PubMed:8097324). Synergizes with IL2 in regulating interferon-gamma synthesis (PubMed:8096327). Stimulates B-cell proliferation, and activation of eosinophils, basophils, and mast cells (PubMed:7903680, PubMed:8759755). Plays an important role in controlling IL33 activity by modulating the production of transmembrane and soluble forms of interleukin-1 receptor-like 1/IL1RL1 (By similarity). Displays the capacity to antagonize Th1-driven proinflammatory immune response and downregulates synthesis of many proinflammatory cytokines including IL1, IL6, IL10, IL12 and TNF-alpha through a mechanism that partially involves suppression of NF-kappa-B (By similarity). Functions also on nonhematopoietic cells, including endothelial cells where it induces vascular cell adhesion protein 1/VCAM1, which is important in the recruitment of eosinophils (PubMed:8639787). Exerts its biological effects through its receptors which comprises the IL4R chain and the IL13RA1 chain, to activate JAK1 and TYK2, leading to the activation of STAT6 (PubMed:9013879). Aside from IL13RA1, another receptor IL13RA2 acts as a high affinity decoy for IL13 and mediates internalization and depletion of extracellular IL13 (PubMed:21622864)
- Specific Function
- cytokine activity
- Gene Name
- IL13
- Uniprot ID
- P35225
- Uniprot Name
- Interleukin-13
- Molecular Weight
- 15787.535 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 May 20, 2019 14:52 / Updated at August 27, 2024 19:16