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

Identification

Generic Name
GSK-256066
DrugBank Accession Number
DB12137
Background

Gsk256066 has been used in trials studying the treatment and diagnostic of SAR, Asthma, Mild Asthma, Allergic Rhinitis, and Seasonal Allergic Rhinitis, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 518.584
Monoisotopic: 518.162390652
Chemical Formula
C27H26N4O5S
Synonyms
Not Available
External IDs
  • GSK-256066
  • GSK256066

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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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
Adverseeffects
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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.
DrugInteraction
RiociguatGSK-256066 may increase the hypotensive activities of Riociguat.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinoline carboxamides
Direct Parent
Quinoline-3-carboxamides
Alternative Parents
4-aminoquinolines / Aminophenyl ethers / Pyridinecarboxylic acids and derivatives / Benzamides / Benzenesulfonyl compounds / Methoxyanilines / Anisoles / Phenoxy compounds / Methoxybenzenes / Benzoyl derivatives
show 13 more
Substituents
4-aminoquinoline / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminophenyl ether / Aminopyridine / Aminoquinoline / Aniline or substituted anilines / Anisole / Aromatic heteropolycyclic compound
show 32 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2D6GK059SR
CAS number
801312-28-7
InChI Key
JFHROPTYMMSOLG-UHFFFAOYSA-N
InChI
InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
IUPAC Name
6-[3-(dimethylcarbamoyl)benzenesulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
SMILES
COC1=CC=CC(NC2=C(C=NC3=C(C)C=C(C=C23)S(=O)(=O)C2=CC(=CC=C2)C(=O)N(C)C)C(N)=O)=C1

References

General References
Not Available
PubChem Compound
9827968
PubChem Substance
347828434
ChemSpider
8003709
BindingDB
50415001
ChEMBL
CHEMBL570015
ZINC
ZINC000006717510
PDBe Ligand
066
PDB Entries
3gwt

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAllergic Rhinitis (Disorder) / Seasonal Allergic Rhinitis1
2CompletedTreatmentAsthma2
2CompletedTreatmentAsthma / Mild Asthma1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
2CompletedTreatmentSeasonal Allergic Rhinitis4
1CompletedDiagnosticChronic 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 Solubility0.00243 mg/mLALOGPS
logP3.07ALOGPS
logP4.33ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)13.75ChemAxon
pKa (Strongest Basic)5.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area131.69 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity141.45 m3·mol-1ChemAxon
Polarizability53.85 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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 21:26 / Updated at June 12, 2020 16:53