NAV

Abediterol

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

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
3D
Similar Structures
Weight
Average: 460.522
Monoisotopic: 460.21736378
Chemical Formula
C25H30F2N2O4
Synonyms
  • Abediterol
External IDs
  • LAS100977
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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.
DrugInteraction
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interactions in your software
AcebutololThe therapeutic efficacy of Abediterol can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Abediterol.
AcemetacinThe risk or severity of hypertension can be increased when Abediterol is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Abediterol.
AclidiniumThe 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
PubChem Compound
11962616
PubChem Substance
347828404
ChemSpider
10136846
ChEBI
142077
ChEMBL
CHEMBL3039530
ZINC
ZINC000043150941
Wikipedia
Abediterol

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
1CompletedTreatmentAsthma2
1CompletedTreatmentAsthma / Chronic Obstructive Pulmonary Disease (COPD)1
1TerminatedBasic ScienceChronic Obstructive Pulmonary Disease (COPD)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 Solubility0.00458 mg/mLALOGPS
logP3.14ALOGPS
logP3.07Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)8.51Chemaxon
pKa (Strongest Basic)9.74Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area90.82 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity125.51 m3·mol-1Chemaxon
Polarizability48.29 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/MSsplash10-03dl-0000900000-dccac6503920d3b5d1c7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-05g0-0600900000-c9c88bb69a2e43ba7699
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f76-0693100000-ad7a4860cb1109beabc2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-074l-0921200000-da4159993693d2c2c9dc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3982400000-bb2efef8e78e3572325b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fs-2951400000-5cd06cf8d65d975ba5d9
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]-210.29718
predicted
DeepCCS 1.0 (2019)
[M+H]+212.92279
predicted
DeepCCS 1.0 (2019)
[M+Na]+220.42006
predicted
DeepCCS 1.0 (2019)

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