NAV

GLPG-1205

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

Identification

Generic Name
GLPG-1205
DrugBank Accession Number
DB15346
Background

GLPG-1205 is under investigation in clinical trial NCT03725852 (A Clinical Study to Test How Effective and Safe GLPG1205 is for Patients With Idiopathic Pulmonary Fibrosis (IPF)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 378.428
Monoisotopic: 378.157957196
Chemical Formula
C22H22N2O4
Synonyms
Not Available
External IDs
  • GLPG1205
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
K9WR6LRA5D
CAS number
1445847-37-9
InChI Key
IRBAWVGZNJIROV-SFHVURJKSA-N
InChI
InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1
IUPAC Name
9-(2-cyclopropylethynyl)-2-{[(2S)-1,4-dioxan-2-yl]methoxy}-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one
SMILES
O=C1N=C(OC[C@@H]2COCCO2)C=C2N1CCC1=CC(=CC=C21)C#CC1CC1

References

General References
Not Available
ChemSpider
58906524
ChEMBL
CHEMBL3716365
ZINC
ZINC000143015712

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2CompletedTreatmentUlcerative Colitis1
1CompletedBasic ScienceHealthy Volunteers (HV)2
1CompletedTreatmentElderly / Healthy Volunteers (HV)1
1CompletedTreatmentHealthy Volunteers (HV)3

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 Solubility0.0149 mg/mLALOGPS
logP2.39ALOGPS
logP2.24Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)-1.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area60.36 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity102.74 m3·mol-1Chemaxon
Polarizability42.19 Å3Chemaxon
Number of Rings5Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-8cfb327d332633741cc2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0069000000-b6147affafce350ed464
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002r-1009000000-22efa5e818c8faa40189
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0091000000-0cdc1ef481770a16b50f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-0192000000-13e91cedf28bfc05f550
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-2149000000-cd758ff8112c996d7ee5
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:17 / Updated at June 12, 2020 16:53