Page last updated: 2024-12-10

pnu 107859

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Cross-References

ID SourceID
PubMed CID4369084
CHEMBL ID249847
SCHEMBL ID6954588
MeSH IDM0299631

Synonyms (17)

Synonym
3USN
2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
(s)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)urea
(s)-n-methyl-3-phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide
bdbm50241372
pnu-107859
CHEMBL249847 ,
DB07390
(2s)-n-methyl-3-phenyl-2-[(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide
alpha-[[[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino]carbonyl]-amino]-n-methyl-(s)-benzenepropanamide
RKWXKADYTDWZIJ-VIFPVBQESA-N
SCHEMBL6954588
n-methyl-nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-l-phenylalaninamide
(s)-n-methyl-3-phenyl-2-(3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)ureido)propanamide
Q27096609
198700-58-2
GLXC-26391
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (7)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, STROMELYSIN-1Homo sapiens (human)Ki0.71000.71000.71000.7100AID977610
Interstitial collagenaseHomo sapiens (human)Ki31.00000.00030.49487.0000AID109100
72 kDa type IV collagenaseHomo sapiens (human)Ki3.00000.00000.34663.0000AID107190
Stromelysin-1Homo sapiens (human)Ki0.70930.00030.54258.0000AID107518; AID107531; AID310913
Melatonin receptor type 1AGallus gallus (chicken)Ki0.71000.00000.16870.8700AID107531
Melatonin receptor type 1CGallus gallus (chicken)Ki0.71000.00000.16870.8700AID107531
Melatonin receptor type 1BGallus gallus (chicken)Ki0.71000.00000.16170.8700AID107531
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (57)

Processvia Protein(s)Taxonomy
proteolysisInterstitial collagenaseHomo sapiens (human)
protein metabolic processInterstitial collagenaseHomo sapiens (human)
extracellular matrix disassemblyInterstitial collagenaseHomo sapiens (human)
collagen catabolic processInterstitial collagenaseHomo sapiens (human)
positive regulation of protein-containing complex assemblyInterstitial collagenaseHomo sapiens (human)
cellular response to UV-AInterstitial collagenaseHomo sapiens (human)
extracellular matrix organizationInterstitial collagenaseHomo sapiens (human)
angiogenesis72 kDa type IV collagenaseHomo sapiens (human)
ovarian follicle development72 kDa type IV collagenaseHomo sapiens (human)
ovulation from ovarian follicle72 kDa type IV collagenaseHomo sapiens (human)
luteinization72 kDa type IV collagenaseHomo sapiens (human)
blood vessel maturation72 kDa type IV collagenaseHomo sapiens (human)
intramembranous ossification72 kDa type IV collagenaseHomo sapiens (human)
proteolysis72 kDa type IV collagenaseHomo sapiens (human)
negative regulation of cell adhesion72 kDa type IV collagenaseHomo sapiens (human)
heart development72 kDa type IV collagenaseHomo sapiens (human)
embryo implantation72 kDa type IV collagenaseHomo sapiens (human)
parturition72 kDa type IV collagenaseHomo sapiens (human)
response to xenobiotic stimulus72 kDa type IV collagenaseHomo sapiens (human)
response to mechanical stimulus72 kDa type IV collagenaseHomo sapiens (human)
peripheral nervous system axon regeneration72 kDa type IV collagenaseHomo sapiens (human)
response to activity72 kDa type IV collagenaseHomo sapiens (human)
protein metabolic process72 kDa type IV collagenaseHomo sapiens (human)
extracellular matrix disassembly72 kDa type IV collagenaseHomo sapiens (human)
protein catabolic process72 kDa type IV collagenaseHomo sapiens (human)
positive regulation of cell migration72 kDa type IV collagenaseHomo sapiens (human)
collagen catabolic process72 kDa type IV collagenaseHomo sapiens (human)
response to retinoic acid72 kDa type IV collagenaseHomo sapiens (human)
cellular response to reactive oxygen species72 kDa type IV collagenaseHomo sapiens (human)
response to nicotine72 kDa type IV collagenaseHomo sapiens (human)
endodermal cell differentiation72 kDa type IV collagenaseHomo sapiens (human)
response to hydrogen peroxide72 kDa type IV collagenaseHomo sapiens (human)
response to estrogen72 kDa type IV collagenaseHomo sapiens (human)
negative regulation of vasoconstriction72 kDa type IV collagenaseHomo sapiens (human)
ephrin receptor signaling pathway72 kDa type IV collagenaseHomo sapiens (human)
macrophage chemotaxis72 kDa type IV collagenaseHomo sapiens (human)
response to electrical stimulus72 kDa type IV collagenaseHomo sapiens (human)
response to hyperoxia72 kDa type IV collagenaseHomo sapiens (human)
face morphogenesis72 kDa type IV collagenaseHomo sapiens (human)
bone trabecula formation72 kDa type IV collagenaseHomo sapiens (human)
prostate gland epithelium morphogenesis72 kDa type IV collagenaseHomo sapiens (human)
cellular response to amino acid stimulus72 kDa type IV collagenaseHomo sapiens (human)
cellular response to interleukin-172 kDa type IV collagenaseHomo sapiens (human)
cellular response to estradiol stimulus72 kDa type IV collagenaseHomo sapiens (human)
cellular response to UV-A72 kDa type IV collagenaseHomo sapiens (human)
cellular response to fluid shear stress72 kDa type IV collagenaseHomo sapiens (human)
positive regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway72 kDa type IV collagenaseHomo sapiens (human)
response to amyloid-beta72 kDa type IV collagenaseHomo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferation72 kDa type IV collagenaseHomo sapiens (human)
extracellular matrix organization72 kDa type IV collagenaseHomo sapiens (human)
response to hypoxia72 kDa type IV collagenaseHomo sapiens (human)
tissue remodeling72 kDa type IV collagenaseHomo sapiens (human)
proteolysisStromelysin-1Homo sapiens (human)
extracellular matrix disassemblyStromelysin-1Homo sapiens (human)
protein catabolic processStromelysin-1Homo sapiens (human)
regulation of cell migrationStromelysin-1Homo sapiens (human)
collagen catabolic processStromelysin-1Homo sapiens (human)
positive regulation of protein-containing complex assemblyStromelysin-1Homo sapiens (human)
cellular response to reactive oxygen speciesStromelysin-1Homo sapiens (human)
innate immune responseStromelysin-1Homo sapiens (human)
negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transductionStromelysin-1Homo sapiens (human)
cellular response to lipopolysaccharideStromelysin-1Homo sapiens (human)
cellular response to amino acid stimulusStromelysin-1Homo sapiens (human)
cellular response to UV-AStromelysin-1Homo sapiens (human)
cellular response to nitric oxideStromelysin-1Homo sapiens (human)
regulation of neuroinflammatory responseStromelysin-1Homo sapiens (human)
response to amyloid-betaStromelysin-1Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processStromelysin-1Homo sapiens (human)
extracellular matrix organizationStromelysin-1Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathwayMelatonin receptor type 1AGallus gallus (chicken)
negative regulation of glycolytic processMelatonin receptor type 1AGallus gallus (chicken)
negative regulation of glucose importMelatonin receptor type 1AGallus gallus (chicken)
G protein-coupled receptor signaling pathwayMelatonin receptor type 1AGallus gallus (chicken)
negative regulation of glycolytic processMelatonin receptor type 1CGallus gallus (chicken)
negative regulation of glucose importMelatonin receptor type 1CGallus gallus (chicken)
G protein-coupled receptor signaling pathwayMelatonin receptor type 1CGallus gallus (chicken)
G protein-coupled receptor signaling pathwayMelatonin receptor type 1BGallus gallus (chicken)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (12)

Processvia Protein(s)Taxonomy
endopeptidase activityInterstitial collagenaseHomo sapiens (human)
metalloendopeptidase activityInterstitial collagenaseHomo sapiens (human)
serine-type endopeptidase activityInterstitial collagenaseHomo sapiens (human)
peptidase activityInterstitial collagenaseHomo sapiens (human)
zinc ion bindingInterstitial collagenaseHomo sapiens (human)
fibronectin binding72 kDa type IV collagenaseHomo sapiens (human)
endopeptidase activity72 kDa type IV collagenaseHomo sapiens (human)
metalloendopeptidase activity72 kDa type IV collagenaseHomo sapiens (human)
serine-type endopeptidase activity72 kDa type IV collagenaseHomo sapiens (human)
protein binding72 kDa type IV collagenaseHomo sapiens (human)
metallopeptidase activity72 kDa type IV collagenaseHomo sapiens (human)
zinc ion binding72 kDa type IV collagenaseHomo sapiens (human)
endopeptidase activityStromelysin-1Homo sapiens (human)
metalloendopeptidase activityStromelysin-1Homo sapiens (human)
serine-type endopeptidase activityStromelysin-1Homo sapiens (human)
protein bindingStromelysin-1Homo sapiens (human)
peptidase activityStromelysin-1Homo sapiens (human)
metallopeptidase activityStromelysin-1Homo sapiens (human)
zinc ion bindingStromelysin-1Homo sapiens (human)
melatonin receptor activityMelatonin receptor type 1AGallus gallus (chicken)
hormone bindingMelatonin receptor type 1AGallus gallus (chicken)
melatonin bindingMelatonin receptor type 1AGallus gallus (chicken)
G protein-coupled receptor activityMelatonin receptor type 1AGallus gallus (chicken)
melatonin receptor activityMelatonin receptor type 1CGallus gallus (chicken)
melatonin bindingMelatonin receptor type 1CGallus gallus (chicken)
G protein-coupled receptor activityMelatonin receptor type 1CGallus gallus (chicken)
melatonin receptor activityMelatonin receptor type 1BGallus gallus (chicken)
G protein-coupled receptor activityMelatonin receptor type 1BGallus gallus (chicken)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (11)

Processvia Protein(s)Taxonomy
extracellular regionInterstitial collagenaseHomo sapiens (human)
extracellular matrixInterstitial collagenaseHomo sapiens (human)
extracellular spaceInterstitial collagenaseHomo sapiens (human)
collagen-containing extracellular matrix72 kDa type IV collagenaseHomo sapiens (human)
extracellular region72 kDa type IV collagenaseHomo sapiens (human)
extracellular space72 kDa type IV collagenaseHomo sapiens (human)
nucleus72 kDa type IV collagenaseHomo sapiens (human)
mitochondrion72 kDa type IV collagenaseHomo sapiens (human)
plasma membrane72 kDa type IV collagenaseHomo sapiens (human)
sarcomere72 kDa type IV collagenaseHomo sapiens (human)
collagen-containing extracellular matrix72 kDa type IV collagenaseHomo sapiens (human)
extracellular space72 kDa type IV collagenaseHomo sapiens (human)
extracellular regionStromelysin-1Homo sapiens (human)
nucleusStromelysin-1Homo sapiens (human)
mitochondrionStromelysin-1Homo sapiens (human)
cytosolStromelysin-1Homo sapiens (human)
extracellular matrixStromelysin-1Homo sapiens (human)
extracellular spaceStromelysin-1Homo sapiens (human)
receptor complexMelatonin receptor type 1AGallus gallus (chicken)
plasma membraneMelatonin receptor type 1AGallus gallus (chicken)
nucleoplasmMelatonin receptor type 1CGallus gallus (chicken)
plasma membraneMelatonin receptor type 1CGallus gallus (chicken)
plasma membraneMelatonin receptor type 1BGallus gallus (chicken)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (8)

Assay IDTitleYearJournalArticle
AID1179562Binding affinity to stromelysin (unknown origin) by NMR analysis2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Elements and modulation of functional dynamics.
AID107190Inhibition of human Matrix metalloprotease-2 (gelatinase-A)2004Journal of medicinal chemistry, Jun-03, Volume: 47, Issue:12
A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations.
AID109100Binding affinity for matrix metalloprotease-11999Journal of medicinal chemistry, May-06, Volume: 42, Issue:9
Synthesis of a series of stromelysin-selective thiadiazole urea matrix metalloproteinase inhibitors.
AID310913Inhibition of MMP32007Bioorganic & medicinal chemistry, Mar-15, Volume: 15, Issue:6
Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs.
AID107518Binding affinity for matrix metalloprotease-31999Journal of medicinal chemistry, May-06, Volume: 42, Issue:9
Synthesis of a series of stromelysin-selective thiadiazole urea matrix metalloproteinase inhibitors.
AID107531Inhibition of human stromelysin-1 (MMP-3)2004Journal of medicinal chemistry, Jun-03, Volume: 47, Issue:12
A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations.
AID1811Experimentally measured binding affinity data derived from PDB1998Protein science : a publication of the Protein Society, Nov, Volume: 7, Issue:11
Solution structures of stromelysin complexed to thiadiazole inhibitors.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB1998Protein science : a publication of the Protein Society, Nov, Volume: 7, Issue:11
Solution structures of stromelysin complexed to thiadiazole inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's2 (40.00)18.2507
2000's2 (40.00)29.6817
2010's1 (20.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.58

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.58 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.37 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.58)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (40.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other3 (60.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]