AZD-0328
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AZD-0328
- DrugBank Accession Number
- DB12145
- Background
AZD0328 has been used in trials studying the treatment and basic science of Schizophrenia and Alzheimer's Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 216.284
Monoisotopic: 216.126263143 - Chemical Formula
- C13H16N2O
- Synonyms
- Not Available
- External IDs
- AZD0328
Pharmacology
- Indication
Not Available
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- 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
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinuclidines
- Sub Class
- Not Available
- Direct Parent
- Quinuclidines
- Alternative Parents
- Aralkylamines / Alkyl aryl ethers / Pyridines and derivatives / Piperidines / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Azacyclic compounds / Hydrocarbon derivatives
- Substituents
- Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Ether / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2B218X5QIY
- CAS number
- 220099-91-2
- InChI Key
- OCKIPDMKGPYYJS-ZDUSSCGKSA-N
- InChI
- InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
- IUPAC Name
- (2R)-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine]
- SMILES
- C1C2=C(O[C@]11CN3CCC1CC3)N=CC=C2
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9794392
- PubChem Substance
- 347828441
- ChemSpider
- 7970159
- BindingDB
- 50393243
- ChEMBL
- CHEMBL2151437
- ZINC
- ZINC000033961869
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Schizophrenia 1 2 Withdrawn Treatment Mild Cognitive Impairment (MCI) / Parkinson's Disease (PD) 1 1 Completed Not Available Healthy Volunteers (HV) 2 1 Completed Basic Science Alzheimer's Disease (AD) 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 45.3 mg/mL ALOGPS logP 1.51 ALOGPS logP 1.53 Chemaxon logS -0.68 ALOGPS pKa (Strongest Basic) 8.28 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 25.36 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 61.85 m3·mol-1 Chemaxon Polarizability 23.72 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-014i-5890000000-a701258331efd308abfa Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-b320a8d734f2cbce2894 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-ee0dd40201182e973d47 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-e119530a5295d2ca8e46 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0190000000-7fa5b939816b341d3d55 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0910000000-b7d21b411ab733e1ac9d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00fu-7900000000-8d2ccfd2f6f9da5e7b7b 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]- 148.21112 predictedDeepCCS 1.0 (2019) [M+H]+ 150.56912 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.66226 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:27 / Updated at June 12, 2020 16:53