NAV

AZD-9164

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
3D
Similar Structures
Weight
Average: 465.633
Monoisotopic: 465.291183055
Chemical Formula
C29H38FN2O2
Synonyms
Not Available
External IDs
  • AZD9164
  • J3.232.015E
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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 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
PubChem Compound
44517831
PubChem Substance
347828416
ChemSpider
28481905
BindingDB
50419505
ChEMBL
CHEMBL1921904
ZINC
ZINC000043196332

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1TerminatedBasic ScienceChronic Obstructive Pulmonary Disease (COPD) / Healthy Volunteers (HV)1
1TerminatedBasic ScienceHealthy 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
PropertyValueSource
Water Solubility4.23e-05 mg/mLALOGPS
logP3.6ALOGPS
logP1.4Chemaxon
logS-7.1ALOGPS
pKa (Strongest Basic)6.71Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.54 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity145.52 m3·mol-1Chemaxon
Polarizability51.99 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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]-205.56651
predicted
DeepCCS 1.0 (2019)
[M+H]+207.96208
predicted
DeepCCS 1.0 (2019)
[M+Na]+213.8746
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:23 / Updated at June 12, 2020 16:53