NAV

GLPG-1837

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

Identification

Generic Name
GLPG-1837
DrugBank Accession Number
DB16835
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 348.42
Monoisotopic: 348.125611694
Chemical Formula
C16H20N4O3S
Synonyms
Not Available
External IDs
  • GLPG 1837
  • GLPG1837
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
MM4S7BD3DF
CAS number
1654725-02-6
InChI Key
GHTGYZMBQPXTCQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)
IUPAC Name
N-{3-carbamoyl-5,5,7,7-tetramethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-1H-pyrazole-3-carboxamide
SMILES
CC1(C)CC2=C(SC(NC(=O)C3=NNC=C3)=C2C(N)=O)C(C)(C)O1

References

General References
Not Available
ChemSpider
58828894
BindingDB
50246760
ChEMBL
CHEMBL4075348
PDBe Ligand
LJP
PDB Entries
6o1v

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCystic Fibrosis (CF)2
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 Solubility0.0158 mg/mLALOGPS
logP2.1ALOGPS
logP2.64Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)10.67Chemaxon
pKa (Strongest Basic)0.36Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area110.1 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity93.03 m3·mol-1Chemaxon
Polarizability36.56 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-000t-1019000000-d1956f42d21efff96b8b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-5e01a7f6a7cf91d784fa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-1039000000-14aea0b3ad39af3ecbe0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6t-0589000000-603e877437f052cf8dd1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f7t-0192000000-5b714a79f8271d84cba6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052s-0196000000-11ba7e55a51f3fdd2a80
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 18, 2022 19:00 / Updated at December 01, 2022 11:31