AZD-9164

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

Identification

Name
AZD-9164
Accession Number
DB12115
Type
Small Molecule
Groups
Investigational
Description

AZD9164 has been used in trials studying the basic science and treatment of Chronic Obstructive Pulmonary Disease.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD9164 / J3.232.015E
Categories
UNII
977LWC4O5D
CAS number
1034978-04-5
Weight
Average: 465.633
Monoisotopic: 465.291183055
Chemical Formula
C29H38FN2O2
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[[email protected]@](N1CCCCC1)(C(=O)O[[email protected]]1C[N+]2(CCC3=CC=C(F)C=C3)CCC1CC2)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
44517831
PubChem Substance
347828416
ChemSpider
28481905
BindingDB
50419505
ChEMBL
CHEMBL1921904

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1TerminatedBasic ScienceHealthy Volunteers1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)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
Not Available

Taxonomy

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 / Phenethylamine / Quinuclidine / Fluorobenzene / Halobenzene / Aralkylamine / Aryl fluoride / Aryl halide / Monocyclic benzene moiety / Piperidine
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:23 / Updated on November 09, 2017 05:02