GSK-256066
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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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
- Weight
- Average: 518.584
Monoisotopic: 518.162390652 - Chemical Formula
- C27H26N4O5S
- Synonyms
- Not Available
- External IDs
- GSK-256066
- GSK256066
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism A3',5'-cyclic-AMP phosphodiesterase 4A inhibitorHumans - 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 softwareRiociguat GSK-256066 may increase the hypotensive activities of Riociguat. - 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
- External Links
- PubChem Compound
- 9827968
- PubChem Substance
- 347828434
- ChemSpider
- 8003709
- BindingDB
- 50415001
- ChEMBL
- CHEMBL570015
- ZINC
- ZINC000006717510
- PDBe Ligand
- 066
- PDB Entries
- 3gwt
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 Allergic Rhinitis (AR) / Seasonal Allergic Rhinitis 1 somestatus stop reason just information to hide 2 Completed Treatment Asthma 2 somestatus stop reason just information to hide 2 Completed Treatment Asthma / Mild 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 2 Completed Treatment Seasonal Allergic Rhinitis 4 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 0.00243 mg/mL ALOGPS logP 3.07 ALOGPS logP 4.33 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 13.75 Chemaxon pKa (Strongest Basic) 5.44 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 131.69 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 141.45 m3·mol-1 Chemaxon Polarizability 53.85 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 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]- 244.8855258 predictedDarkChem Lite v0.1.0 [M-H]- 209.9947 predictedDeepCCS 1.0 (2019) [M+H]+ 245.0846258 predictedDarkChem Lite v0.1.0 [M+H]+ 212.39029 predictedDeepCCS 1.0 (2019) [M+Na]+ 244.4372258 predictedDarkChem Lite v0.1.0 [M+Na]+ 218.30281 predictedDeepCCS 1.0 (2019)
Targets
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1. Details3',5'-cyclic-AMP phosphodiesterase 4A
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Hydrolyzes the second messenger 3',5'-cyclic AMP (cAMP), which is a key regulator of many important physiological processes
- Specific Function
- 3',5'-cyclic-AMP phosphodiesterase activity
- Gene Name
- PDE4A
- Uniprot ID
- P27815
- Uniprot Name
- 3',5'-cyclic-AMP phosphodiesterase 4A
- Molecular Weight
- 98142.155 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 21:26 / Updated at August 26, 2024 19:22