NAV

PG-530742

Identification

Generic Name
PG-530742
DrugBank Accession Number
DB05495
Background

PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 501.55
Monoisotopic: 501.156971395
Chemical Formula
C24H27N3O7S
Synonyms
Not Available
External IDs
  • PG 116800
  • PG-116800
  • PG-530742
  • PGE-7113313
  • PGE7113313
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Pharmacology

Indication

Investigated for use/treatment in osteoarthritis.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.

Mechanism of action

PG-530742 selectively inhibits certain matrix metalloproteinases: In an independent research study, the drug-treated group showed decreased levels of MMP-2, -3, -9, and -13.

TargetActionsOrganism
UMatrix metalloproteinase-9Not AvailableHumans
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
F94T42GL80
CAS number
291533-11-4
InChI Key
JAYVKNDQKXUNOJ-UHFFFAOYSA-N
InChI
InChI=1S/C24H27N3O7S/c1-33-20-9-5-18(6-10-20)23(28)25-19-7-11-21(12-8-19)35(31,32)26-22(24(29)30)4-2-3-13-27-14-16-34-17-15-27/h5-12,22,26H,4,13-17H2,1H3,(H,25,28)(H,29,30)
IUPAC Name
2-[4-(4-methoxybenzamido)benzenesulfonamido]-6-(morpholin-4-yl)hex-4-ynoic acid
SMILES
COC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O

References

General References
  1. Morita H, Khanal S, Rastogi S, Suzuki G, Imai M, Todor A, Sharov VG, Goldstein S, O'Neill TP, Sabbah HN: Selective matrix metalloproteinase inhibition attenuates progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure. Am J Physiol Heart Circ Physiol. 2006 Jun;290(6):H2522-7. Epub 2006 Jan 20. [Article]
PubChem Substance
347910172
ChemSpider
8024582
ChEMBL
CHEMBL4297318

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCardiomegaly / Heart Failure / Myocardial Infarction1
2CompletedTreatmentOsteoarthritis of the Knee1

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 Solubility0.00965 mg/mLALOGPS
logP1.69ALOGPS
logP-0.59Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)3.17Chemaxon
pKa (Strongest Basic)6.18Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area134.27 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity131.35 m3·mol-1Chemaxon
Polarizability51.33 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-0udi-0120390000-1307686d04a4f7c49d9e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0j59-0029440000-e0aac463fd863f2fd808
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pc0-0930810000-ed1c0650885a6b094216
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gb9-0419530000-f983410af73e0d3af500
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052v-0005900000-00114efe67faa8520349
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0930700000-2dbb8e9907f40590ea8c
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Matrix metalloproteinase-9
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
May play an essential role in local proteolysis of the extracellular matrix and in leukocyte migration. Could play a role in bone osteoclastic resorption. Cleaves KiSS1 at a Gly-|-Leu bond. Cleaves...
Gene Name
MMP9
Uniprot ID
P14780
Uniprot Name
Matrix metalloproteinase-9
Molecular Weight
78457.51 Da

Drug created at November 18, 2007 18:25 / Updated at May 10, 2021 12:36