GSK-1004723
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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
- GSK-1004723
- DrugBank Accession Number
- DB12806
- Background
Gsk1004723 has been investigated for the treatment of Allergic Rhinitis and Rhinitis, Allergic, Seasonal.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 641.3
Monoisotopic: 640.3544045 - Chemical Formula
- C39H49ClN4O2
- Synonyms
- Not Available
- External IDs
- GSK1004723
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmphetamine Amphetamine may decrease the sedative activities of GSK-1004723. Benzphetamine Benzphetamine may decrease the sedative activities of GSK-1004723. Benzylpenicilloyl polylysine GSK-1004723 may decrease effectiveness of Benzylpenicilloyl polylysine as a diagnostic agent. Betahistine The therapeutic efficacy of Betahistine can be decreased when used in combination with GSK-1004723. Dextroamphetamine Dextroamphetamine may decrease the sedative activities of GSK-1004723. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazanaphthalenes
- Sub Class
- Benzodiazines
- Direct Parent
- Phthalazinones
- Alternative Parents
- Phenylbutylamines / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Aralkylamines / Azepanes / Chlorobenzenes / Pyridazinones / N-alkylpyrrolidines / Aryl chlorides show 8 more
- Substituents
- Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azepane / Benzenoid / Chlorobenzene show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- S08212J4ZR
- CAS number
- 955359-72-5
- InChI Key
- YANGEESWIGIKOP-UUWRZZSWSA-N
- InChI
- InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
- IUPAC Name
- 2-{[(2R)-1-(4-{4-[3-(azepan-1-yl)propoxy]phenyl}butyl)pyrrolidin-2-yl]methyl}-4-[(4-chlorophenyl)methyl]-1,2-dihydrophthalazin-1-one
- SMILES
- ClC1=CC=C(CC2=NN(C[C@H]3CCCN3CCCCC3=CC=C(OCCCN4CCCCCC4)C=C3)C(=O)C3=CC=CC=C23)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 17747460
- PubChem Substance
- 347828981
- ChemSpider
- 26345044
- BindingDB
- 50341447
- ChEMBL
- CHEMBL1767164
- ZINC
- ZINC000043175204
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Allergic Rhinitis (AR) 1 2 Completed Treatment Seasonal Allergic Rhinitis 1 1 Completed Treatment Seasonal Allergic Rhinitis 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 0.000106 mg/mL ALOGPS logP 7.84 ALOGPS logP 8.1 Chemaxon logS -6.8 ALOGPS pKa (Strongest Basic) 9.79 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 48.38 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 190.31 m3·mol-1 Chemaxon Polarizability 73.56 Å3 Chemaxon Number of Rings 6 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]- 245.70103 predictedDeepCCS 1.0 (2019) [M+H]+ 248.09662 predictedDeepCCS 1.0 (2019) [M+Na]+ 254.00946 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:23 / Updated at June 12, 2020 16:53