GSK2798745

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

Identification

Generic Name
GSK2798745
DrugBank Accession Number
DB16033
Background

GSK2798745 is under investigation in clinical trial NCT03372603 (A Study to Assess the Effectiveness and Side Effects of GSK2798745 in Participants With Chronic Cough).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 460.538
Monoisotopic: 460.222288786
Chemical Formula
C25H28N6O3
Synonyms
Not Available
External IDs
  • GSK-2798745
  • GSK2798745

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
63FJ7LF55O
CAS number
1419609-94-1
InChI Key
URCMKDJBULWNAI-DQEYMECFSA-N
InChI
InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
IUPAC Name
1-{[(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl}-1H-1,3-benzodiazole-6-carbonitrile
SMILES
CC(C)(O)C1=NC=C(N=C1)N1C[C@@]2(CCC[C@](C)(CN3C=NC4=C3C=C(C=C4)C#N)C2)OC1=O

References

General References
Not Available
ChemSpider
58805596
PDBe Ligand
XPW
PDB Entries
8fc7

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHeart Failure1
2CompletedTreatmentPulmonary Edemas1
1CompletedTreatmentCongestive Heart Failure (CHF)1
1CompletedTreatmentMacular Edema1
1TerminatedTreatmentHealthy Volunteers (HV)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
PropertyValueSource
Water Solubility0.0929 mg/mLALOGPS
logP2.57ALOGPS
logP2.88Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)13.72Chemaxon
pKa (Strongest Basic)5.16Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area117.16 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity124.22 m3·mol-1Chemaxon
Polarizability48.62 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-0006-0000900000-f924d8cfb6ab81a472ea
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000900000-787adaabddf18ec45581
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0100900000-1e309bf36fb7b8585f0b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aos-0202900000-3a523903e2c4665abb79
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ke-0942200000-1103dbb3a8ccfaea1757
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0535-3418900000-2b079d5de8846b086f5f
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 18:02 / Updated at December 20, 2020 03:35