NAV

Setogepram

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

Identification

Generic Name
Setogepram
DrugBank Accession Number
DB15447
Background

Setogepram is under investigation in clinical trial NCT03184584 (Open-Label Rollover Study of PBI 4050 in Subjects With Alström Syndrome).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 206.285
Monoisotopic: 206.13067982
Chemical Formula
C13H18O2
Synonyms
  • 2-(3-Pentylphenyl)acetic acid
  • 3-Pentylbenzenacetic acid
  • Fezagepras
External IDs
  • PBI-4050
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Setogepram sodiumR05571KE071254472-97-3CNSJWSLXKSJQFE-UHFFFAOYSA-M

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
879OVM0Y1S
CAS number
1002101-19-0
InChI Key
PEGQOIGYZLJMIB-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
IUPAC Name
2-(3-pentylphenyl)acetic acid
SMILES
CCCCCC1=CC(CC(O)=O)=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0244924
ChemSpider
58107628
ChEMBL
CHEMBL4297635
ZINC
ZINC000113492390

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetes / Inflammation and Fibrosis1
2CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2CompletedTreatmentSyndrome, Metabolic / Type 2 Diabetes Mellitus1
2TerminatedTreatmentCystic Fibrosis (CF)1
2TerminatedTreatmentSyndrome, Metabolic / Type 2 Diabetes Mellitus1

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 Solubility0.0217 mg/mLALOGPS
logP3.84ALOGPS
logP3.9Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)4.66Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity60.81 m3·mol-1Chemaxon
Polarizability24.07 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0a4l-9740000000-d50dd9ac3538282b9f2d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0290000000-6c6276f68bd58d5ce073
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-4980000000-e6f799b9e96c4e9f5783
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-06dl-3900000000-514347bf3e36a36866b9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-3900000000-e1d2955e31955b011c46
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0k96-4900000000-731e75a3641af9b01dfb
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:33 / Updated at September 28, 2023 05:47