AZD-9164
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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-9164
- DrugBank Accession Number
- DB12115
- Background
AZD9164 has been used in trials studying the basic science and treatment of Chronic Obstructive Pulmonary Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 465.633
Monoisotopic: 465.291183055 - Chemical Formula
- C29H38FN2O2
- Synonyms
- Not Available
- External IDs
- AZD9164
- J3.232.015E
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 alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids and derivatives
- Alternative Parents
- Phenethylamines / Quinuclidines / Aralkylamines / Fluorobenzenes / Piperidines / Aryl fluorides / Tetraalkylammonium salts / Trialkylamines / Carboxylic acid esters / Azacyclic compounds show 6 more
- Substituents
- Alpha-amino acid or derivatives / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid ester show 21 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 977LWC4O5D
- CAS number
- 1034978-04-5
- InChI Key
- FNYFFCOCVNTJCD-NNMXADRKSA-N
- InChI
- InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1
- IUPAC Name
- (3R)-1-[2-(4-fluorophenyl)ethyl]-3-{[(2S)-2-phenyl-2-(piperidin-1-yl)propanoyl]oxy}-1-azabicyclo[2.2.2]octan-1-ium
- SMILES
- C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCC3=CC=C(F)C=C3)CCC1CC2)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44517831
- PubChem Substance
- 347828416
- ChemSpider
- 28481905
- BindingDB
- 50419505
- ChEMBL
- CHEMBL1921904
- ZINC
- ZINC000043196332
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Terminated Basic Science Chronic Obstructive Pulmonary Disease (COPD) / Healthy Volunteers (HV) 1 1 Terminated Basic Science Healthy Volunteers (HV) 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 4.23e-05 mg/mL ALOGPS logP 3.6 ALOGPS logP 1.4 Chemaxon logS -7.1 ALOGPS pKa (Strongest Basic) 6.71 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 145.52 m3·mol-1 Chemaxon Polarizability 51.99 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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]- 205.56651 predictedDeepCCS 1.0 (2019) [M+H]+ 207.96208 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.8746 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:23 / Updated at June 12, 2020 16:53