STG-001

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

Identification

Generic Name
STG-001
DrugBank Accession Number
DB16734
Background

STG-001 is under investigation in clinical trial NCT04489511 (Study of STG-001 in Subjects With Stargardt Disease).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 352.236
Monoisotopic: 352.064646548
Chemical Formula
C14H10F6N2O2
Synonyms
Not Available
External IDs
  • STG 001
  • STG-001
  • STG001

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
IK88NC17OD
CAS number
Not Available
InChI Key
WSFKMLQSYRCAQE-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F6N2O2/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)11-1-3-22(21-11)4-2-12(23)24/h1,3,5-7H,2,4H2,(H,23,24)
IUPAC Name
3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}propanoic acid
SMILES
OC(=O)CCN1C=CC(=N1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

References

General References
Not Available
ChemSpider
123961864
ChEMBL
CHEMBL4650305
ZINC
ZINC000584619594

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentStargardt Disease 11

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
logP3.74Chemaxon
pKa (Strongest Acidic)3.8Chemaxon
pKa (Strongest Basic)2.35Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area55.12 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity82.46 m3·mol-1Chemaxon
Polarizability28.11 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/MSsplash10-0udi-0009000000-e8e3d36115260651fc3e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f80-0029000000-13b148bfcc9aad04f9b0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-0009000000-1803e913bf7b648c43e8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fri-0191000000-55f1bffe40b3b0b95766
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-003i-0096000000-c59cecd4819cef54d328
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ti-0090000000-2985b47aa7f82bfe61ce
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 26, 2021 03:57 / Updated at September 12, 2023 18:32