GSK-364735

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

Identification

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Name
GSK-364735
Accession Number
DB13119  (DB06009)
Type
Small Molecule
Groups
Investigational
Description

GSK-364735 (Naphthyridinone) has been used in trials studying the treatment of HIV-1 Infection and Infection, Human Immunodeficiency Virus.

Structure
Thumb
Synonyms
  • Naphthyridinone
External IDs
GSK-364735 / GSK364735 / S-364735 / S/GSK 364735 / S/GSK-364735
Categories
UNII
SXN0KXT60S
CAS number
863434-13-3
Weight
Average: 371.368
Monoisotopic: 371.128134235
Chemical Formula
C19H18FN3O4
InChI Key
QWLNINWUBHHOLU-UHFFFAOYSA-N
InChI
InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)
IUPAC Name
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
SMILES
CN1C(=O)C(C(=O)NCCO)=C(O)C2=NC=C(CC3=CC=C(F)C=C3)C=C12

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UGag-Pol polyproteinNot 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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
54718859
PubChem Substance
347829242
ChemSpider
26366844
BindingDB
50045107
ChEMBL
CHEMBL1256978

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Type 1 (HIV-1) Infection1

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 Solubility0.104 mg/mLALOGPS
logP0.6ALOGPS
logP0.42ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.83ChemAxon
pKa (Strongest Basic)2.24ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area102.76 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity96.8 m3·mol-1ChemAxon
Polarizability37.27 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Naphthyridines
Direct Parent
Naphthyridines
Alternative Parents
Pyridinecarboxylic acids and derivatives / N-acylethanolamines / Pyridinones / Fluorobenzenes / Hydroxypyridines / Aryl fluorides / Vinylogous amides / Vinylogous acids / Heteroaromatic compounds / Secondary carboxylic acid amides
show 6 more
Substituents
Naphthyridine / Pyridine carboxylic acid or derivatives / N-acylethanolamine / Hydroxypyridine / Fluorobenzene / Halobenzene / Pyridinone / Aryl fluoride / Aryl halide / Monocyclic benzene moiety
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Not Available
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Gag-Pol polyprotein: Mediates, with Gag polyrotein, the essential events in virion assembly, including binding the plasma membrane, making the protein-protein interactions necessary to create spher...
Gene Name
gag-pol
Uniprot ID
P04585
Uniprot Name
Gag-Pol polyprotein
Molecular Weight
162041.05 Da

Drug created on October 20, 2016 21:20 / Updated on June 04, 2019 07:47