NAV

GSK-2981278

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

Identification

Generic Name
GSK-2981278
DrugBank Accession Number
DB16319
Background

GSK-2981278 is under investigation in clinical trial NCT03004846 (A Study of GSK2981278 Ointment in Subjects With Plaque Psoriasis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 461.62
Monoisotopic: 461.223594405
Chemical Formula
C25H35NO5S
Synonyms
  • Ror gama modulator 1
External IDs
  • GSK-2981278
  • GSK2981278
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
L49V5G013I
CAS number
1474110-21-8
InChI Key
LZLBRISQTJVZNP-UHFFFAOYSA-N
InChI
InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3
IUPAC Name
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-[(oxan-4-yl)methoxy]benzene-1-sulfonamide
SMILES
CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C1=CC(CO)=C(OCC2CCOCC2)C=C1

References

General References
Not Available
ChemSpider
39625826
BindingDB
50461084
ChEMBL
CHEMBL4225088
ZINC
ZINC000142250256

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentPsoriasis1
1, 2CompletedTreatmentPsoriasis1

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 Solubility0.00101 mg/mLALOGPS
logP4.24ALOGPS
logP4.38Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)14.36Chemaxon
pKa (Strongest Basic)-3.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area76.07 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity127.75 m3·mol-1Chemaxon
Polarizability51.66 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-03fr-6902800000-272526376aab99246426
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0iki-0090500000-a0c8a408722d2f00826b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ds-5905200000-a98074126d0c520ef92c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01r6-0946600000-f301e353986379a148ec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0l12-9304200000-3c23b1dd43d50706b946
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06s9-1906100000-fbfa0c927f646feb1154
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 20:02 / Updated at December 20, 2020 03:41