GLPG-1205
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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-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
- Weight
- Average: 378.428
Monoisotopic: 378.157957196 - Chemical Formula
- C22H22N2O4
- Synonyms
- Not Available
- External IDs
- GLPG1205
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
- 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
- External Links
- ChemSpider
- 58906524
- ChEMBL
- CHEMBL3716365
- ZINC
- ZINC000143015712
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Idiopathic Pulmonary Fibrosis (IPF) 1 2 Completed Treatment Ulcerative Colitis 1 1 Completed Basic Science Healthy Volunteers (HV) 2 1 Completed Treatment Elderly / Healthy Volunteers (HV) 1 1 Completed Treatment Healthy 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
Property Value Source Water Solubility 0.0149 mg/mL ALOGPS logP 2.39 ALOGPS logP 2.24 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 60.36 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 102.74 m3·mol-1 Chemaxon Polarizability 42.19 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 splash10-004i-0019000000-8cfb327d332633741cc2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0069000000-b6147affafce350ed464 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-002r-1009000000-22efa5e818c8faa40189 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0091000000-0cdc1ef481770a16b50f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004r-0192000000-13e91cedf28bfc05f550 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-2149000000-cd758ff8112c996d7ee5 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 15:17 / Updated at June 12, 2020 16:53