NAV

Reproxalap

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

Identification

Generic Name
Reproxalap
DrugBank Accession Number
DB16688
Background

Reproxalap (previously ADX 102 or NS-2) is a small molecule inhibitor being developed by Aldeyra Therapeutics investigated against dry eye disease, allergic conjunctivitis, noninfectious anterior uveitis, and Sjögren-Larsson syndrome.1 NS-2 has orphan drug status due to it being investigated for treatment of Sjogren-Larsson syndrome.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 236.7
Monoisotopic: 236.0716407
Chemical Formula
C12H13ClN2O
Synonyms
  • ADX 102
  • ADX102
  • ALD-102
  • NS-2
  • Reproxalap
External IDs
  • ADX 102
  • ADX-102
  • ADX102
  • ALD-102
  • NS 2
  • NS-2
  • NS2
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action

Reproxalap inhibits Reactive Aldehyde Species (RASP) and is being investigated against dry eye disease, allergic conjunctivitis, noninfectious anterior uveitis, and Sjögren-Larsson syndrome.1

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
F0GIZ22IJH
CAS number
916056-79-6
InChI Key
GUHFUVLKYSQIOQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3
IUPAC Name
2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol
SMILES
CC(C)(O)C1=NC2=C(C=C1N)C=C(Cl)C=C2

References

General References
  1. National Center for Advancing Translational Sciences (NCATS): REPROXALAP [Link]
ChemSpider
17246660
ChEMBL
CHEMBL4297210

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAllergic Conjunctivitis (AC)3
3CompletedTreatmentDry Eye Syndrome (DES)1
3CompletedTreatmentDry Eyes2
3CompletedTreatmentNon-Infectious Anterior Uveitis1
3CompletedTreatmentSjogren-Larsson Syndrome (SLS)1

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 Solubility0.237 mg/mLALOGPS
logP2.78ALOGPS
logP2.22Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)13.91Chemaxon
pKa (Strongest Basic)3.32Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area59.14 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity64.99 m3·mol-1Chemaxon
Polarizability24.71 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-014i-0090000000-6b81cf11bef932613890
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-444f151b659d38022060
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1290000000-3dd82c4a69fbcc5188ab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gbi-0090000000-3a05720d8c954acb649b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-0900000000-1e4a3c4ad66dd6cc80ec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f8l-6930000000-ba1c4e92fbc1d67ad57c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at April 08, 2021 14:48 / Updated at September 12, 2023 18:32