NAV

GLPG-0492

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
3D
Similar Structures
Weight
Average: 389.334
Monoisotopic: 389.098725812
Chemical Formula
C19H14F3N3O3
Synonyms
Not Available
External IDs
  • (-)-GLPG-0492
  • GLPG0492
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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
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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcarboseGLPG-0492 may increase the hypoglycemic activities of Acarbose.
AcenocoumarolGLPG-0492 may increase the anticoagulant activities of Acenocoumarol.
AcetohexamideGLPG-0492 may increase the hypoglycemic activities of Acetohexamide.
AlbiglutideGLPG-0492 may increase the hypoglycemic activities of Albiglutide.
AlogliptinGLPG-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
PubChem Compound
59317190
PubChem Substance
347828700
ChemSpider
28661578
ChEMBL
CHEMBL2178100
ZINC
ZINC000095571779

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedOtherHealthy Volunteers (HV)1
1CompletedTreatmentHealthy 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 Solubility0.00522 mg/mLALOGPS
logP2.48ALOGPS
logP2.71Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)14.44Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.64 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity92.93 m3·mol-1Chemaxon
Polarizability35.33 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-0109000000-9b37240b8aaf5cba792d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-fa265078b37a4eed744c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-0009000000-722b87244bff889eda15
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02ml-0649000000-a2818e8e67a88266a4f2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ll-0119000000-9581a8f685239380c8b7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0935000000-7d906565cf769f8aa0c8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-2961000000-81d3760c13752ab43c00
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-179.21913
predicted
DeepCCS 1.0 (2019)
[M+H]+181.6147
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.64099
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:29 / Updated at June 12, 2020 16:53