GLPG-0492
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- GLPG-0492
- DrugBank Accession Number
- DB12461
- Background
Glpg0492 is under investigation in clinical trial NCT01130818 (First-in-Human Single Ascending Dose of GLPG0492).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 389.334
Monoisotopic: 389.098725812 - Chemical Formula
- C19H14F3N3O3
- Synonyms
- Not Available
- External IDs
- (-)-GLPG-0492
- GLPG0492
Pharmacology
- Indication
Not Available
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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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcarbose GLPG-0492 may increase the hypoglycemic activities of Acarbose. Acenocoumarol GLPG-0492 may increase the anticoagulant activities of Acenocoumarol. Acetohexamide GLPG-0492 may increase the hypoglycemic activities of Acetohexamide. Albiglutide GLPG-0492 may increase the hypoglycemic activities of Albiglutide. Alogliptin GLPG-0492 may increase the hypoglycemic activities of Alogliptin. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azolidines
- Sub Class
- Imidazolidines
- Direct Parent
- Phenylhydantoins
- Alternative Parents
- Phenylimidazolidines / Trifluoromethylbenzenes / Alpha amino acids and derivatives / Benzonitriles / N-acyl ureas / Dicarboximides / Nitriles / Azacyclic compounds / Primary alcohols / Organopnictogen compounds show 5 more
- Substituents
- 3-phenylhydantoin / 5-phenylhydantoin / Alcohol / Alkyl fluoride / Alkyl halide / Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Benzonitrile show 22 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8O59X1ACZT
- CAS number
- 1215085-92-9
- InChI Key
- VAJGULUVTFDTAS-GOSISDBHSA-N
- InChI
- InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m1/s1
- IUPAC Name
- 4-[(4S)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- SMILES
- CN1C(=O)N(C(=O)[C@@]1(CO)C1=CC=CC=C1)C1=CC=C(C#N)C(=C1)C(F)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 59317190
- PubChem Substance
- 347828700
- ChemSpider
- 28661578
- ChEMBL
- CHEMBL2178100
- ZINC
- ZINC000095571779
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Other Healthy Volunteers (HV) 1 1 Completed 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 0.00522 mg/mL ALOGPS logP 2.48 ALOGPS logP 2.71 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 14.44 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 84.64 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 92.93 m3·mol-1 Chemaxon Polarizability 35.33 Å3 Chemaxon Number of Rings 3 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-0109000000-9b37240b8aaf5cba792d Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0009000000-fa265078b37a4eed744c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kr-0009000000-722b87244bff889eda15 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-02ml-0649000000-a2818e8e67a88266a4f2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00ll-0119000000-9581a8f685239380c8b7 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0935000000-7d906565cf769f8aa0c8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-2961000000-81d3760c13752ab43c00 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.21913 predictedDeepCCS 1.0 (2019) [M+H]+ 181.6147 predictedDeepCCS 1.0 (2019) [M+Na]+ 187.64099 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:29 / Updated at June 12, 2020 16:53