GLPG-0259
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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
- GLPG-0259
- DrugBank Accession Number
- DB15190
- Background
GLPG-0259 is under investigation in clinical trial NCT01024517 (GLPG0259 Solid Formulation Bioavailability and Food Effect).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 458.526
Monoisotopic: 458.217872109 - Chemical Formula
- C24H26N8O2
- Synonyms
- Not Available
- External IDs
- GLPG0259
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazinanes
- Sub Class
- Piperazines
- Direct Parent
- Phenylpiperazines
- Alternative Parents
- N-arylpiperazines / Phenylpyrrolidines / Triazolopyrazines / 2-heteroaryl carboxamides / Aniline and substituted anilines / Dialkylarylamines / Furoic acid and derivatives / N-alkylpiperazines / Aminopyrazines / N-alkylpyrrolidines show 13 more
- Substituents
- 1,2,4-triazole / 1-phenylpyrrolidine / 2-heteroaryl carboxamide / Amine / Amino acid or derivatives / Aminopyrazine / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Azole show 29 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 52EG7RFE6Y
- CAS number
- 1195065-29-2
- InChI Key
- YBFGSJUVEOYPIS-OALUTQOASA-N
- InChI
- InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1
- IUPAC Name
- 4-[8-({4-[(1S,4S)-5-(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl}amino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
- SMILES
- CC(C)N1C[C@@H]2C[C@H]1CN2C1=CC=C(NC2=NC=C(N3N=CN=C23)C2=COC(=C2)C(N)=O)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 29367075
- ZINC
- ZINC000116548317
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Rheumatoid Arthritis 1 1 Completed Not Available Healthy Volunteers (HV) 4
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 0.204 mg/mL ALOGPS logP 2.87 ALOGPS logP 2.2 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 13.6 Chemaxon pKa (Strongest Basic) 8.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.82 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 139.76 m3·mol-1 Chemaxon Polarizability 50.39 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-052f-0000900000-60757b9fae402c739060 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-0000900000-b14118f361acdd506ada Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0003900000-93deda3587f0770fb8c0 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-0001900000-803c7d552841597aee22 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fe0-0009700000-03e792aeccd7e8b1dc95 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0229-2109500000-5e69b3ddc35c4c30a8b5 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 May 20, 2019 14:57 / Updated at June 12, 2020 16:53