Abediterol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Abediterol
- DrugBank Accession Number
- DB12100
- Background
Abediterol has been used in trials studying the treatment of Asthma, Chronic Obstructive Pulmonary Disease (COPD), and Chronic Obstructive Pulmonary Disease (COPD) and Asthma.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 460.522
Monoisotopic: 460.21736378 - Chemical Formula
- C25H30F2N2O4
- Synonyms
- Abediterol
- External IDs
- LAS100977
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ABeta-2 adrenergic receptor agonistHumans - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol The therapeutic efficacy of Abediterol can be decreased when used in combination with Acebutolol. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Abediterol. Acemetacin The risk or severity of hypertension can be increased when Abediterol is combined with Acemetacin. Acetylsalicylic acid The risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Abediterol. Aclidinium The risk or severity of Tachycardia can be increased when Aclidinium is combined with Abediterol. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinolines and derivatives
- Sub Class
- Quinolones and derivatives
- Direct Parent
- Hydroxyquinolones
- Alternative Parents
- 8-hydroxyquinolines / Hydroxyquinolines / Hydroquinolones / Hydroquinolines / 1-hydroxy-2-unsubstituted benzenoids / Pyridinones / Aralkylamines / Benzene and substituted derivatives / Heteroaromatic compounds / 1,2-aminoalcohols show 10 more
- Substituents
- 1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / 8-hydroxyquinoline / Alcohol / Alkyl fluoride / Alkyl halide / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteropolycyclic compound show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QXA167CM6F
- CAS number
- 915133-65-2
- InChI Key
- SFYAXIFVXBKRPK-QFIPXVFZSA-N
- InChI
- InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1
- IUPAC Name
- 5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one
- SMILES
- O[C@@H](CNCCCCCCOCC(F)(F)C1=CC=CC=C1)C1=C2C=CC(=O)NC2=C(O)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11962616
- PubChem Substance
- 347828404
- ChemSpider
- 10136846
- ChEBI
- 142077
- ChEMBL
- CHEMBL3039530
- ZINC
- ZINC000043150941
- Wikipedia
- Abediterol
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Asthma 1 somestatus stop reason just information to hide 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 somestatus stop reason just information to hide 1 Completed Treatment Asthma 2 somestatus stop reason just information to hide 1 Completed Treatment Asthma / Chronic Obstructive Pulmonary Disease (COPD) 1 somestatus stop reason just information to hide 1 Terminated Basic Science Chronic Obstructive Pulmonary Disease (COPD) 1 somestatus stop reason just information to hide
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 0.00458 mg/mL ALOGPS logP 3.14 ALOGPS logP 3.07 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 8.51 Chemaxon pKa (Strongest Basic) 9.74 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 90.82 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 125.51 m3·mol-1 Chemaxon Polarizability 48.29 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03dl-0000900000-dccac6503920d3b5d1c7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-05g0-0600900000-c9c88bb69a2e43ba7699 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0f76-0693100000-ad7a4860cb1109beabc2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-074l-0921200000-da4159993693d2c2c9dc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-3982400000-bb2efef8e78e3572325b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-08fs-2951400000-5cd06cf8d65d975ba5d9 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 210.29718 predictedDeepCCS 1.0 (2019) [M+H]+ 212.92279 predictedDeepCCS 1.0 (2019) [M+Na]+ 220.42006 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsBeta-2 adrenergic receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Agonist
- General Function
- Beta-adrenergic receptors mediate the catecholamine-induced activation of adenylate cyclase through the action of G proteins. The beta-2-adrenergic receptor binds epinephrine with an approximately 30-fold greater affinity than it does norepinephrine
- Specific Function
- adenylate cyclase binding
- Gene Name
- ADRB2
- Uniprot ID
- P07550
- Uniprot Name
- Beta-2 adrenergic receptor
- Molecular Weight
- 46458.32 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:21 / Updated at August 27, 2024 19:15