GLPG-0187
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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-0187
- DrugBank Accession Number
- DB12297
- Background
GLPG0187 has been used in trials studying the treatment of Solid Tumors.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 595.72
Monoisotopic: 595.257688493 - Chemical Formula
- C29H37N7O5S
- Synonyms
- Not Available
- External IDs
- GLPG0187
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazanaphthalenes
- Sub Class
- Naphthyridines
- Direct Parent
- Naphthyridines
- Alternative Parents
- Alpha amino acids and derivatives / Benzenesulfonamides / Benzenesulfonyl compounds / Phenoxy compounds / Methoxybenzenes / Dialkylarylamines / Anisoles / Alkyl aryl ethers / Aminopyrimidines and derivatives / Pyridines and derivatives show 12 more
- Substituents
- Alkyl aryl ether / Alpha-amino acid or derivatives / Amine / Aminopyrimidine / Aminosulfonyl compound / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenesulfonamide / Benzenesulfonyl group show 29 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 43A5P87Z4T
- CAS number
- 1320346-97-1
- InChI Key
- CXHCNOMGODVIKB-VWLOTQADSA-N
- InChI
- InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1
- IUPAC Name
- (2S)-3-({2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl}amino)-2-(4-methoxybenzenesulfonamido)propanoic acid
- SMILES
- COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC1=C(C)C(=NC(C)=N1)N1CCC(CC1)C1=CC=C2CCCNC2=N1)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 53340771
- PubChem Substance
- 347828563
- ChemSpider
- 52085532
- ChEMBL
- CHEMBL3319236
- ZINC
- ZINC000113459996
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Treatment Healthy Volunteers (HV) 1 1 Completed Treatment Solid Tumors 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 0.0165 mg/mL ALOGPS logP 3.07 ALOGPS logP 1.02 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 1.65 Chemaxon pKa (Strongest Basic) 8.01 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 158.67 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 163.72 m3·mol-1 Chemaxon Polarizability 63.81 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 232.34189 predictedDeepCCS 1.0 (2019) [M+H]+ 234.23729 predictedDeepCCS 1.0 (2019) [M+Na]+ 240.01582 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:51 / Updated at June 12, 2020 16:53