NAV

Fonadelpar

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

Identification

Generic Name
Fonadelpar
DrugBank Accession Number
DB16169
Background

Fonadelpar is under investigation in clinical trial NCT03527212 (A Study to Assess the Safety and Effectiveness of SJP-0035 for the Treatment of Patients With Dry Eye Disease).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 504.52
Monoisotopic: 504.133062892
Chemical Formula
C25H23F3N2O4S
Synonyms
  • Fonadelpar
External IDs
  • NPS-005
  • SJP-0035
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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
FK5ZAD810Z
CAS number
515138-06-4
InChI Key
WWKYLBGQYALEDL-UHFFFAOYSA-N
InChI
InChI=1S/C25H23F3N2O4S/c1-13(2)23-21(35-24(29-23)15-4-6-16(7-5-15)25(26,27)28)9-8-18-17-10-14(3)19(33-12-22(31)32)11-20(17)34-30-18/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,31,32)
IUPAC Name
2-[(5-methyl-3-{2-[4-(propan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl}-1,2-benzoxazol-6-yl)oxy]acetic acid
SMILES
CC(C)C1=C(CCC2=NOC3=CC(OCC(O)=O)=C(C)C=C23)SC(=N1)C1=CC=C(C=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
8003203
ChEMBL
CHEMBL3545186
ZINC
ZINC000033974001

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDry Eye Syndrome (DES)1
2CompletedTreatmentCorneal Epithelial Disorders2

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 Solubility0.00859 mg/mLALOGPS
logP5.89ALOGPS
logP6.43Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.93Chemaxon
pKa (Strongest Basic)2.73Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.45 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity135.35 m3·mol-1Chemaxon
Polarizability50.66 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-0a4r-0000690000-f033238da636ee5e9025
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000210000-685b409299b787e72e24
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-83858f1a3cc26c859e52
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kdi-6120940000-c8f9e8b708c2ed3754c2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08g3-2523910000-34b2600c1082ffcb5575
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9010100000-9c028f1e759e6ba82358
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:14 / Updated at February 21, 2021 18:55