GLPG-0492

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

Identification

Name
GLPG-0492
Accession Number
DB12461
Type
Small Molecule
Groups
Investigational
Description

Glpg0492 is under investigation in clinical trial NCT01130818 (First-in-Human Single Ascending Dose of GLPG0492).

Structure
Thumb
Synonyms
Not Available
External IDs
(-)-GLPG-0492 / GLPG0492
Categories
UNII
8O59X1ACZT
CAS number
1215085-92-9
Weight
Average: 389.334
Monoisotopic: 389.098725812
Chemical Formula
C19H14F3N3O3
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinGLPG-0492 may increase the anticoagulant activities of (R)-warfarin.
(S)-WarfarinGLPG-0492 may increase the anticoagulant activities of (S)-Warfarin.
2,4-thiazolidinedioneGLPG-0492 may increase the hypoglycemic activities of 2,4-thiazolidinedione.
4-hydroxycoumarinGLPG-0492 may increase the anticoagulant activities of 4-hydroxycoumarin.
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.
AICA ribonucleotideGLPG-0492 may increase the hypoglycemic activities of AICA ribonucleotide.
AlbiglutideGLPG-0492 may increase the hypoglycemic activities of Albiglutide.
AldosteroneThe risk or severity of fluid retention can be increased when Aldosterone is combined with GLPG-0492.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
59317190
PubChem Substance
347828700
ChemSpider
28661578
ChEMBL
CHEMBL2178100

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers2
1CompletedTreatmentHealthy Volunteers1

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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 / Phenylimidazolidine / Alpha-amino acid or derivatives / Trifluoromethylbenzene / Benzonitrile / N-acyl urea / Ureide / Monocyclic benzene moiety / Benzenoid
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:29 / Updated on October 01, 2018 15:15