AZD8529

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
AZD8529
DrugBank Accession Number
DB16073
Background

AZD8529 is under investigation in clinical trial NCT00921804 (Study to Assess the Efficacy, Safety, and Tolerability of AZD8529 in Adult Schizophrenia Patients).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 487.483
Monoisotopic: 487.183124142
Chemical Formula
C24H24F3N5O3
Synonyms
Not Available
External IDs
  • AZD 8529
  • AZD-8529
  • AZD8529

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
6H81G454I7
CAS number
1092453-15-0
InChI Key
IPCYZQQFECEHLI-UHFFFAOYSA-N
InChI
InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3
IUPAC Name
7-methyl-5-{3-[(piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}-2-{[4-(trifluoromethoxy)phenyl]methyl}-2,3-dihydro-1H-isoindol-1-one
SMILES
CC1=CC(=CC2=C1C(=O)N(CC1=CC=C(OC(F)(F)F)C=C1)C2)C1=NC(CN2CCNCC2)=NO1

References

General References
Not Available
ChemSpider
34980773
BindingDB
50194618
ChEMBL
CHEMBL3937907
ZINC
ZINC000043201296

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSchizophrenia1
2CompletedTreatmentTobacco Use Disorders1
1CompletedNot AvailableHealthy Volunteers (HV)2
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedBasic ScienceSchizophrenia1

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 Solubility0.107 mg/mLALOGPS
logP3.3ALOGPS
logP4.48Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)13.62Chemaxon
pKa (Strongest Basic)9.21Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.73 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity130.74 m3·mol-1Chemaxon
Polarizability48.92 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-c30af23b3524f09335ee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-4fddcd5b26a56c47ad46
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0010900000-8af22efbc509c065d941
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0079-0900700000-7892c1e9f9c45c8e76c3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-7230900000-34cd68259e1920e35fad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ri-0226900000-8036c638ad5a6479f72c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36