AZD-0328

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
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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
PubChem Compound
9794392
PubChem Substance
347828441
ChemSpider
7970159
BindingDB
50393243
ChEMBL
CHEMBL2151437
ZINC
ZINC000033961869

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentSchizophrenia1
2WithdrawnTreatmentMild Cognitive Impairment (MCI) / Parkinson's Disease (PD)1
1CompletedNot AvailableHealthy Volunteers (HV)2
1CompletedBasic ScienceAlzheimer'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
PropertyValueSource
Water Solubility45.3 mg/mLALOGPS
logP1.51ALOGPS
logP1.53Chemaxon
logS-0.68ALOGPS
pKa (Strongest Basic)8.28Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area25.36 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity61.85 m3·mol-1Chemaxon
Polarizability23.72 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-014i-5890000000-a701258331efd308abfa
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-b320a8d734f2cbce2894
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-ee0dd40201182e973d47
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-e119530a5295d2ca8e46
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0190000000-7fa5b939816b341d3d55
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0910000000-b7d21b411ab733e1ac9d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fu-7900000000-8d2ccfd2f6f9da5e7b7b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-148.21112
predicted
DeepCCS 1.0 (2019)
[M+H]+150.56912
predicted
DeepCCS 1.0 (2019)
[M+Na]+156.66226
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:27 / Updated at June 12, 2020 16:53