NAV

AZD-5069

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

Identification

Generic Name
AZD-5069
DrugBank Accession Number
DB16822
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 476.51
Monoisotopic: 476.099968498
Chemical Formula
C18H22F2N4O5S2
Synonyms
Not Available
External IDs
  • AZD 5069
  • AZD5069
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4ADT8JXB9S
CAS number
878385-84-3
InChI Key
QZECRCLSIGFCIO-RISCZKNCSA-N
InChI
InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
IUPAC Name
N-(2-{[(2,3-difluorophenyl)methyl]sulfanyl}-6-{[(2R,3S)-3,4-dihydroxybutan-2-yl]oxy}pyrimidin-4-yl)azetidine-1-sulfonamide
SMILES
C[C@@H](OC1=CC(NS(=O)(=O)N2CCC2)=NC(SCC2=CC=CC(F)=C2F)=N1)[C@@H](O)CO

References

General References
Not Available
ChemSpider
57583803
ChEMBL
CHEMBL4562140
ZINC
ZINC000113629761

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma1
2CompletedTreatmentBronchiectasis / Lung Disorder / Respiratory Diseases1
2CompletedTreatmentLaymen Terminology Chronic Bronchitis and Emphysema / Scientific Terminology Chronic Obstructive Pulmonary Disease (COPD)1
1CompletedNot AvailableAsthma1
1CompletedNot AvailableHealthy 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 Solubility0.314 mg/mLALOGPS
logP1.81ALOGPS
logP1.64Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)7.76Chemaxon
pKa (Strongest Basic)1.59Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area124.88 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity112.43 m3·mol-1Chemaxon
Polarizability43.98 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-004i-0000900000-ea13a9d8cf311f583863
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0001900000-18e40af12eeeb18dd112
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fbl-0278900000-944ae6a8db0a6757f5e5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0094300000-0e7c2f300f1b66e92875
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6s-5696400000-3286055776e5e04f9250
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dm-6396400000-cb6c0c1a580ac4b78f21
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 15, 2022 15:35 / Updated at December 01, 2022 11:30