GLPG-0187

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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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.
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 These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings.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
PubChem Compound
53340771
PubChem Substance
347828563
ChemSpider
52085532
ChEMBL
CHEMBL3319236
ZINC
ZINC000113459996

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedTreatmentHealthy Volunteers (HV)1
1CompletedTreatmentSolid Tumors1

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 Solubility0.0165 mg/mLALOGPS
logP3.07ALOGPS
logP1.02Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)1.65Chemaxon
pKa (Strongest Basic)8.01Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area158.67 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity163.72 m3·mol-1Chemaxon
Polarizability63.81 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000390000-f052e95cf09d28f4ac80
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4j-0402190000-b2c60d16dca97d0a8549
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0710090000-1757893c0d25c55d41f5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-0822090000-2c1cedc963e1378fea71
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ts-2319040000-6923c8a6b9e91e0b71ba
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0j6r-0492140000-3317f70ae4351e960b85
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-232.34189
predicted
DeepCCS 1.0 (2019)
[M+H]+234.23729
predicted
DeepCCS 1.0 (2019)
[M+Na]+240.01582
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:51 / Updated at June 12, 2020 16:53