NAV

Ziritaxestat

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

Identification

Generic Name
Ziritaxestat
DrugBank Accession Number
DB15403
Background

Ziritaxestat is under investigation in clinical trial NCT03798366 (A Clinical Study to Test How Effective and Safe GLPG1690 is for Patients With Systemic Sclerosis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 588.71
Monoisotopic: 588.243121672
Chemical Formula
C30H33FN8O2S
Synonyms
  • 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)-piperazin-1-yl)-8-methylimidazo[1,2-a]pyridin-3-yl)-(methyl)amino)-4-(4-fluorophenyl)-thiazole-5-carbonitrile
  • Ziritaxestat
External IDs
  • GLPG 1690
  • GLPG-1690
  • GLPG1690
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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
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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
I02418V13W
CAS number
1628260-79-6
InChI Key
REQQVBGILUTQNN-UHFFFAOYSA-N
InChI
InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
IUPAC Name
2-[(2-ethyl-6-{4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl}-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILES
CCC1=C(N(C)C2=NC(=C(S2)C#N)C2=CC=C(F)C=C2)N2C=C(C=C(C)C2=N1)N1CCN(CC(=O)N2CC(O)C2)CC1

References

General References
Not Available
Human Metabolome Database
HMDB0252755
ChemSpider
58828502
BindingDB
50187686
ChEMBL
CHEMBL3828074
PDBe Ligand
7NB
PDB Entries
5mhp / 7z3l

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentIdiopathic Pulmonary Fibrosis (IPF)2
2CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2CompletedTreatmentSystemic Sclerosis (SSc)1
2TerminatedTreatmentSystemic Sclerosis (SSc)1
1CompletedBasic ScienceHealthy Volunteers (HV)2

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 Solubility0.0324 mg/mLALOGPS
logP4.1ALOGPS
logP3.64Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)14.76Chemaxon
pKa (Strongest Basic)7.85Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area104.24 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity160.17 m3·mol-1Chemaxon
Polarizability63.81 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-000i-0000090000-0aa04138c83e0a1b2d04
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1010090000-cba2bb3a260e51e7f2c3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0010090000-fa718878064439e3244b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000190000-fab6f7720ff2cc7926e1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0080-3312980000-8a5dfc547d0f8391adb7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-2701390000-a9230f3bfa5cdd333184
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:25 / Updated at September 12, 2023 18:32