Tozadenant
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tozadenant
- DrugBank Accession Number
- DB12203
- Background
Tozadenant has been investigated for the basic science of Cocaine Dependence.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 406.5
Monoisotopic: 406.167476507 - Chemical Formula
- C19H26N4O4S
- Synonyms
- Tozadenant
- External IDs
- Syn115
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.
- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Following the oral administration of 240mg of tozadenant in healthy subjects, the mean plasma half-life was 15 hours.1
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzothiazoles
- Sub Class
- Not Available
- Direct Parent
- Benzothiazoles
- Alternative Parents
- Methoxyanilines / Piperidinecarboxamides / Anisoles / Dialkylarylamines / Alkyl aryl ethers / Morpholines / Tertiary alcohols / Heteroaromatic compounds / Thiazoles / Ureas show 6 more
- Substituents
- 1,3-benzothiazole / 1-piperidinecarboxamide / Alcohol / Alkyl aryl ether / Amine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid show 23 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- D9K857J81I
- CAS number
- 870070-55-6
- InChI Key
- XNBRWUQWSKXMPW-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
- IUPAC Name
- 4-hydroxy-N-[4-methoxy-7-(morpholin-4-yl)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide
- SMILES
- COC1=C2N=C(NC(=O)N3CCC(C)(O)CC3)SC2=C(C=C1)N1CCOCC1
References
- General References
- Mancel V, Mathy FX, Boulanger P, English S, Croft M, Kenney C, Knott T, Stockis A, Bani M: Pharmacokinetics and metabolism of [(14)C]-tozadenant (SYN-115), a novel A2a receptor antagonist ligand, in healthy volunteers. Xenobiotica. 2017 Aug;47(8):705-718. doi: 10.1080/00498254.2016.1221164. Epub 2016 Sep 2. [Article]
- External Links
- PubChem Compound
- 11618368
- PubChem Substance
- 347828487
- ChemSpider
- 9793117
- BindingDB
- 50011294
- ChEBI
- 177494
- ChEMBL
- CHEMBL2105747
- ZINC
- ZINC000013986943
- PDBe Ligand
- 9XW
- PDB Entries
- 5olo
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Idiopathic Parkinson's Disease 2 2 Completed Treatment Parkinson's Disease (PD) 1 2, 3 Completed Treatment Parkinson's Disease (PD) 1 1 Completed Basic Science N/A, as Healthy Volunteers 1 1 Terminated Basic Science Hepatic Impairment 1 1 Terminated Other Abuse Potential 1 0 Completed Basic Science Dependence, Cocaine 1
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 0.111 mg/mL ALOGPS logP 1.96 ALOGPS logP 1.48 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 10.76 Chemaxon pKa (Strongest Basic) 0.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 87.16 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 108.26 m3·mol-1 Chemaxon Polarizability 43.33 Å3 Chemaxon Number of Rings 4 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 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
Drug created at October 20, 2016 21:36 / Updated at December 01, 2022 11:27