AZD8529
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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
- 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
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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
- 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
- External Links
- ChemSpider
- 34980773
- BindingDB
- 50194618
- ChEMBL
- CHEMBL3937907
- ZINC
- ZINC000043201296
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Schizophrenia 1 2 Completed Treatment Tobacco Use Disorders 1 1 Completed Not Available Healthy Volunteers (HV) 2 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Completed Basic Science Schizophrenia 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 0.107 mg/mL ALOGPS logP 3.3 ALOGPS logP 4.48 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 13.62 Chemaxon pKa (Strongest Basic) 9.21 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.73 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 130.74 m3·mol-1 Chemaxon Polarizability 48.92 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-000i-0000900000-c30af23b3524f09335ee Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0000900000-4fddcd5b26a56c47ad46 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0010900000-8af22efbc509c065d941 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0079-0900700000-7892c1e9f9c45c8e76c3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-7230900000-34cd68259e1920e35fad Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00ri-0226900000-8036c638ad5a6479f72c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36