GSK2798745
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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
- 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 ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- 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
- 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.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
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Heart Failure 1 2 Completed Treatment Pulmonary Edemas 1 1 Completed Treatment Congestive Heart Failure (CHF) 1 1 Completed Treatment Macular Edema 1 1 Terminated Treatment Healthy 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
Property Value Source Water Solubility 0.0929 mg/mL ALOGPS logP 2.57 ALOGPS logP 2.88 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 13.72 Chemaxon pKa (Strongest Basic) 5.16 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 117.16 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 124.22 m3·mol-1 Chemaxon Polarizability 48.62 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0000900000-f924d8cfb6ab81a472ea Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-787adaabddf18ec45581 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0100900000-1e309bf36fb7b8585f0b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0aos-0202900000-3a523903e2c4665abb79 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00ke-0942200000-1103dbb3a8ccfaea1757 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0535-3418900000-2b079d5de8846b086f5f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:02 / Updated at December 20, 2020 03:35