Azeliragon
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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
- Weight
- Average: 532.13
Monoisotopic: 531.2652552 - Chemical Formula
- C32H38ClN3O2
- Synonyms
- Azeliragon
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 11180124
- PubChem Substance
- 347828890
- ChemSpider
- 9355214
- ChEMBL
- CHEMBL3989929
- ZINC
- ZINC000038336973
- Wikipedia
- RAGE_(receptor)
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Alzheimer's Disease (AD) 2 2 Recruiting Treatment High Grade Glioma: Glioblastoma (GBM) 1 2 Terminated Treatment Alzheimer's Disease (AD) 1 2, 3 Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1 1 Suspended Treatment High Grade Glioma: Glioblastoma (GBM) / Malignant Glioma 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
Property Value Source Water Solubility 8.86e-05 mg/mL ALOGPS logP 8.44 ALOGPS logP 8.22 Chemaxon logS -6.8 ALOGPS pKa (Strongest Basic) 9.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 39.52 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 166.93 m3·mol-1 Chemaxon Polarizability 63.01 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 221.35933 predictedDeepCCS 1.0 (2019) [M+H]+ 223.7549 predictedDeepCCS 1.0 (2019) [M+Na]+ 229.6674 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:38 / Updated at February 21, 2021 18:53