NAV

AZD-3043

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

Identification

Generic Name
AZD-3043
DrugBank Accession Number
DB12576
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 351.443
Monoisotopic: 351.204573038
Chemical Formula
C19H29NO5
Synonyms
Not Available
External IDs
  • AZD-3043
  • AZD3043
  • THRX-918661
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with AZD-3043.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with AZD-3043.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with AZD-3043.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with AZD-3043.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with AZD-3043.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl aryl ether / Aromatic homomonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Carboxylic acid ester / Ether / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Monocyclic benzene moiety
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
372AB76LQL
CAS number
579494-66-9
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

References

General References
Not Available
PubChem Compound
10286834
PubChem Substance
347828798
ChemSpider
8462303
ChEMBL
CHEMBL3354350
ZINC
ZINC000038459154

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedTreatmentHealthy Volunteers (HV)2
1WithdrawnBasic SciencePharmacokinetics / Safety / Sedation / 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/MSsplash10-0udi-0379000000-9ea594e2b7b729a9754e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-116r-9875000000-38d50d7eded324ba8140
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03k9-6983000000-644876a5b7771616f0d2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9620000000-ac25a4c64b5ac654674d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-009i-4940000000-f41ced4a2d8a35475fd3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-3590000000-1bf64106d7ee58f7cd33
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]-187.83916
predicted
DeepCCS 1.0 (2019)
[M+H]+190.19716
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.2903
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:58 / Updated at June 12, 2020 16:53