NAV

Azeliragon

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

Identification

Generic Name
Azeliragon
DrugBank Accession Number
DB12689
Background

Azeliragon has been used in trials studying the treatment of Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 532.13
Monoisotopic: 531.2652552
Chemical Formula
C32H38ClN3O2
Synonyms
  • Azeliragon
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylethers
Direct Parent
Diphenylethers
Alternative Parents
Phenylimidazoles / Diarylethers / Phenoxy compounds / Phenol ethers / 1,2,4-trisubstituted imidazoles / Chlorobenzenes / Alkyl aryl ethers / N-substituted imidazoles / Aryl chlorides / Heteroaromatic compounds
show 4 more
Substituents
1,2,4-trisubstituted-imidazole / 1-phenylimidazole / 4-phenylimidazole / 5-phenylimidazole / Alkyl aryl ether / Amine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
LPU25F15UQ
CAS number
603148-36-3
InChI Key
KJNNWYBAOPXVJY-UHFFFAOYSA-N
InChI
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
IUPAC Name
[3-(4-{2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl}phenoxy)propyl]diethylamine
SMILES
CCCCC1=NC(=CN1C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1=CC=C(OCCCN(CC)CC)C=C1

References

General References
Not Available
PubChem Compound
11180124
PubChem Substance
347828890
ChemSpider
9355214
ChEMBL
CHEMBL3989929
ZINC
ZINC000038336973
Wikipedia
RAGE_(receptor)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentAlzheimer's Disease (AD)2
2RecruitingTreatmentHigh Grade Glioma: Glioblastoma (GBM)1
2TerminatedTreatmentAlzheimer's Disease (AD)1
2, 3RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19)1
1SuspendedTreatmentHigh Grade Glioma: Glioblastoma (GBM) / Malignant Glioma1

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 Solubility8.86e-05 mg/mLALOGPS
logP8.44ALOGPS
logP8.22Chemaxon
logS-6.8ALOGPS
pKa (Strongest Basic)9.8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area39.52 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity166.93 m3·mol-1Chemaxon
Polarizability63.01 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-001i-2100290000-30acba679fedd3e8df5e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0159-9000550000-c071aee554b73f9cfabc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-5100950000-60eb2651bd9e0a268efe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-5203930000-360b4c5ceac959e46415
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fz3-9103410000-74c245150b7b47b38515
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06sr-2049220000-2fda0230ee94b1a7042e
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-221.35933
predicted
DeepCCS 1.0 (2019)
[M+H]+223.7549
predicted
DeepCCS 1.0 (2019)
[M+Na]+229.6674
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:38 / Updated at February 21, 2021 18:53