GSK-1004723

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
Thumb
Weight
Average: 641.3
Monoisotopic: 640.3544045
Chemical Formula
C39H49ClN4O2
Synonyms
Not Available
External IDs
  • GSK1004723

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
AmphetamineAmphetamine may decrease the sedative and stimulatory activities of GSK-1004723.
BenzphetamineBenzphetamine may decrease the sedative and stimulatory activities of GSK-1004723.
Benzylpenicilloyl polylysineGSK-1004723 may decrease effectiveness of Benzylpenicilloyl polylysine as a diagnostic agent.
BetahistineThe therapeutic efficacy of Betahistine can be decreased when used in combination with GSK-1004723.
DextroamphetamineDextroamphetamine may decrease the sedative and stimulatory activities of GSK-1004723.
DiethylpropionDiethylpropion may decrease the sedative and stimulatory activities of GSK-1004723.
HyaluronidaseThe therapeutic efficacy of Hyaluronidase can be decreased when used in combination with GSK-1004723.
Hyaluronidase (human recombinant)The therapeutic efficacy of Hyaluronidase (human recombinant) can be decreased when used in combination with GSK-1004723.
Hyaluronidase (ovine)The therapeutic efficacy of Hyaluronidase (ovine) can be decreased when used in combination with GSK-1004723.
HyoscyamineGSK-1004723 may increase the anticholinergic activities of Hyoscyamine.
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 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
PubChem Compound
17747460
PubChem Substance
347828981
ChemSpider
26345044
BindingDB
50341447
ChEMBL
CHEMBL1767164
ZINC
ZINC000043175204

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAllergic Rhinitis (Disorder)1
2CompletedTreatmentSeasonal Allergic Rhinitis1
1CompletedTreatmentSeasonal Allergic Rhinitis1

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 Solubility0.000106 mg/mLALOGPS
logP7.84ALOGPS
logP8.1ChemAxon
logS-6.8ALOGPS
pKa (Strongest Basic)9.79ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area48.38 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity190.31 m3·mol-1ChemAxon
Polarizability73.56 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
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 on October 21, 2016 00:23 / Updated on June 12, 2020 16:53