NAV

PRX-03140

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

Identification

Generic Name
PRX-03140
DrugBank Accession Number
DB05596
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 377.5
Monoisotopic: 377.177312915
Chemical Formula
C19H27N3O3S
Synonyms
Not Available
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Pharmacology

Indication

Investigated for use/treatment in alzheimer's disease and memory loss.

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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thienopyridines
Sub Class
Not Available
Direct Parent
Thienopyridines
Alternative Parents
Pyridinecarboxamides / Hydroxypyridines / Pyridinones / Piperidines / Vinylogous acids / Vinylogous amides / Heteroaromatic compounds / Thiophenes / Secondary carboxylic acid amides / Trialkylamines
show 6 more
Substituents
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Hydroxypyridine / Lactam
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7QGN8QXG7I
CAS number
869493-21-0
InChI Key
SCHKZZSVELPJKU-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24)
IUPAC Name
4-hydroxy-6-oxo-N-[3-(piperidin-1-yl)propyl]-7-(propan-2-yl)-6H,7H-thieno[2,3-b]pyridine-5-carboxamide
SMILES
CC(C)N1C2=C(C=CS2)C(O)=C(C(=O)NCCCN2CCCCC2)C1=O

References

General References
Not Available
ChemSpider
21377738
ChEMBL
CHEMBL3306918
Wikipedia
PRX-03140

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)1
2TerminatedTreatmentAlzheimer's Disease (AD)2
Not AvailableCompletedTreatmentPost Traumatic Stress Disorder (PTSD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0434 mg/mLALOGPS
logP2.21ALOGPS
logP-0.68Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)5.25Chemaxon
pKa (Strongest Basic)9.24Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area72.88 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity103.54 m3·mol-1Chemaxon
Polarizability42.17 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-004i-0009000000-394ac6df6444ae9d5893
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-591e66bf38ddbf5b02c0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0109000000-de038fcde91accf3d4e6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002e-9822000000-a8a00af76d2da2e6cdbc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ou-1349000000-ed7c5d9b1efeb68128ab
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052u-5493000000-69fd3f9b2847444f96fd
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-202.3433241
predicted
DarkChem Lite v0.1.0
[M-H]-181.9132
predicted
DeepCCS 1.0 (2019)
[M+H]+201.6267241
predicted
DarkChem Lite v0.1.0
[M+H]+184.2712
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.0135241
predicted
DarkChem Lite v0.1.0
[M+Na]+190.4011
predicted
DeepCCS 1.0 (2019)

Drug created at November 18, 2007 18:26 / Updated at June 12, 2020 16:52