NAV

AZD-5423

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

Identification

Generic Name
AZD-5423
DrugBank Accession Number
DB12280
Background

AZD5423 has been used in trials studying the basic science and treatment of Asthma, Bioavailability and AUC, and Chronic Obstructive Pulmonary Disease (COPD).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 487.455
Monoisotopic: 487.1519042
Chemical Formula
C25H21F4N3O3
Synonyms
Not Available
External IDs
  • AZD5423
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
Phenylpropanes / Indazoles / Phenoxy compounds / Anisoles / Methoxybenzenes / Alkyl aryl ethers / Fluorobenzenes / Aryl fluorides / Heteroaromatic compounds / Secondary carboxylic acid amides
show 7 more
Substituents
Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Anisole / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Benzopyrazole
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
641H0Q518W
CAS number
1034148-04-3
InChI Key
FCNQMDSJHADDFT-WNSKOXEYSA-N
InChI
InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
IUPAC Name
2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-(3-methoxyphenyl)propan-2-yl]acetamide
SMILES
COC1=CC(=CC=C1)[C@@H](OC1=CC=C2N(N=CC2=C1)C1=CC=C(F)C=C1)[C@H](C)NC(=O)C(F)(F)F

References

General References
Not Available
PubChem Compound
24825740
PubChem Substance
347828549
ChemSpider
28536140
ChEMBL
CHEMBL4072756
ZINC
ZINC000095616569
PDBe Ligand
8W8
Wikipedia
AZD-5423
PDB Entries
5nft

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
1CompletedBasic ScienceAsthma / Healthy Subjects (HS)1
1CompletedBasic ScienceBioavailability and AUC1
1CompletedBasic ScienceHealthy Subjects (HS)3

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 Solubility0.00082 mg/mLALOGPS
logP5.06ALOGPS
logP5.26Chemaxon
logS-5.8ALOGPS
pKa (Strongest Acidic)7.37Chemaxon
pKa (Strongest Basic)1.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area65.38 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity121 m3·mol-1Chemaxon
Polarizability46.02 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-03di-0190000000-bc4c7cf163381ed150e4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0019000000-402d89c0c25c72ae5c24
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-0215900000-f7975d72a9e946fb0b2e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00tf-3659400000-ff3069b80d1bfe5630fd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r2-0976100000-ce7e78b057c88fc50d65
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08i0-2791700000-e13882d4f35a325fc4b4
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]-202.16629
predicted
DeepCCS 1.0 (2019)
[M+H]+204.39037
predicted
DeepCCS 1.0 (2019)
[M+Na]+210.22527
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:49 / Updated at June 12, 2020 16:53