AZD-3043

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

Identification

Name
AZD-3043
Accession Number
DB12576
Type
Small Molecule
Groups
Investigational
Description

AZD3043 has been used in trials studying the treatment and basic science of Safety, Sedation, Tolerability, and Pharmacokinetics.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD3043 / THRX-918661
Categories
UNII
372AB76LQL
CAS number
579494-66-9
Weight
Average: 351.443
Monoisotopic: 351.204573038
Chemical Formula
C19H29NO5
InChI Key
QPUVKSKJCNGSGT-UHFFFAOYSA-N
InChI
InChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3
IUPAC Name
propyl 2-{4-[(diethylcarbamoyl)methoxy]-3-ethoxyphenyl}acetate
SMILES
CCCOC(=O)CC1=CC=C(OCC(=O)N(CC)CC)C(OCC)=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
10286834
PubChem Substance
347828798
ChemSpider
8462303
ChEMBL
CHEMBL3354350

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentHealthy Volunteers2
1WithdrawnBasic SciencePharmacokinetics / Safety / Sedation therapy / Tolerability1

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 Solubility0.128 mg/mLALOGPS
logP3.39ALOGPS
logP2.51ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)16.59ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area65.07 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity96.28 m3·mol-1ChemAxon
Polarizability39.89 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Alkyl aryl ethers / Tertiary carboxylic acid amides / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Phenoxy compound / Phenol ether / Alkyl aryl ether / Monocyclic benzene moiety / Tertiary carboxylic acid amide / Carboxamide group / Carboxylic acid ester / Carboxylic acid derivative / Ether / Monocarboxylic acid or derivatives
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:58 / Updated on November 09, 2017 05:09