Compounds > mdl 101146
Page last updated: 2024-11-12

mdl 101146

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Description

MDL 101146: orally active inhibitor of neutrophil elastase; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID10439034
CHEMBL ID76746
SCHEMBL ID7335282
MeSH IDM0233925

Synonyms (22)

Synonym
CHEMBL76746 ,
(s)-1-{(s)-3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
bdbm50035495
mdl 101,146
mdl 101146
n-(4-(4-morpholinylcarbonyl)benzoyl)-l-valyl-n-(3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl)-l-prolinamide
149859-17-6
unii-749y52dbp2
n-(4-(4-morpholinylcarbonyl)benzoyl)valyl-n-(3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl)prolinamide
749y52dbp2 ,
l-prolinamide, n-(4-(4-morpholinylcarbonyl)benzoyl)-l-valyl-n-(3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl)-
SCHEMBL7335282
n-[4-(4-morpholinylcarbonyl)-benzoyl]-l-valyl-n-[3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-o-xobutyl]-l-prolinamide
n-[4-(morpholin-4-ylcarbonyl)benzoyl]-l-valyl-n-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)-l-prolinamide
DTXSID00933788
(2s)-1-[(2s)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-n-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide
(2s)-1-((4-(morpholine-4-carbonyl)benzoyl)-l-valyl)-n-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide
xqamvchqghaelt-nhnzylehsa-n
CS-0066827
l-prolinamide, n-[4-(4-morpholinylcarbonyl)benzoyl]-l-valyl-n-[3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]- (9ci)
HY-117668
AKOS040747139
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Neutrophil elastaseHomo sapiens (human)Ki0.02380.00201.28669.5499AID66802; AID66816; AID66834
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (25)

Processvia Protein(s)Taxonomy
proteolysisNeutrophil elastaseHomo sapiens (human)
negative regulation of transcription by RNA polymerase IINeutrophil elastaseHomo sapiens (human)
response to yeastNeutrophil elastaseHomo sapiens (human)
leukocyte migration involved in inflammatory responseNeutrophil elastaseHomo sapiens (human)
biosynthetic process of antibacterial peptides active against Gram-negative bacteriaNeutrophil elastaseHomo sapiens (human)
proteolysisNeutrophil elastaseHomo sapiens (human)
intracellular calcium ion homeostasisNeutrophil elastaseHomo sapiens (human)
response to UVNeutrophil elastaseHomo sapiens (human)
extracellular matrix disassemblyNeutrophil elastaseHomo sapiens (human)
protein catabolic processNeutrophil elastaseHomo sapiens (human)
response to lipopolysaccharideNeutrophil elastaseHomo sapiens (human)
negative regulation of chemokine productionNeutrophil elastaseHomo sapiens (human)
negative regulation of interleukin-8 productionNeutrophil elastaseHomo sapiens (human)
positive regulation of interleukin-8 productionNeutrophil elastaseHomo sapiens (human)
defense response to bacteriumNeutrophil elastaseHomo sapiens (human)
positive regulation of MAP kinase activityNeutrophil elastaseHomo sapiens (human)
positive regulation of smooth muscle cell proliferationNeutrophil elastaseHomo sapiens (human)
negative regulation of inflammatory responseNeutrophil elastaseHomo sapiens (human)
positive regulation of immune responseNeutrophil elastaseHomo sapiens (human)
negative regulation of chemotaxisNeutrophil elastaseHomo sapiens (human)
pyroptosisNeutrophil elastaseHomo sapiens (human)
neutrophil-mediated killing of gram-negative bacteriumNeutrophil elastaseHomo sapiens (human)
neutrophil-mediated killing of fungusNeutrophil elastaseHomo sapiens (human)
positive regulation of leukocyte tethering or rollingNeutrophil elastaseHomo sapiens (human)
phagocytosisNeutrophil elastaseHomo sapiens (human)
acute inflammatory response to antigenic stimulusNeutrophil elastaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Processvia Protein(s)Taxonomy
protease bindingNeutrophil elastaseHomo sapiens (human)
transcription corepressor activityNeutrophil elastaseHomo sapiens (human)
endopeptidase activityNeutrophil elastaseHomo sapiens (human)
serine-type endopeptidase activityNeutrophil elastaseHomo sapiens (human)
protein bindingNeutrophil elastaseHomo sapiens (human)
heparin bindingNeutrophil elastaseHomo sapiens (human)
peptidase activityNeutrophil elastaseHomo sapiens (human)
cytokine bindingNeutrophil elastaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (12)

Processvia Protein(s)Taxonomy
extracellular regionNeutrophil elastaseHomo sapiens (human)
extracellular spaceNeutrophil elastaseHomo sapiens (human)
cytoplasmNeutrophil elastaseHomo sapiens (human)
cytosolNeutrophil elastaseHomo sapiens (human)
cell surfaceNeutrophil elastaseHomo sapiens (human)
secretory granuleNeutrophil elastaseHomo sapiens (human)
azurophil granule lumenNeutrophil elastaseHomo sapiens (human)
specific granule lumenNeutrophil elastaseHomo sapiens (human)
phagocytic vesicleNeutrophil elastaseHomo sapiens (human)
collagen-containing extracellular matrixNeutrophil elastaseHomo sapiens (human)
extracellular exosomeNeutrophil elastaseHomo sapiens (human)
transcription repressor complexNeutrophil elastaseHomo sapiens (human)
extracellular spaceNeutrophil elastaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (20)

Assay IDTitleYearJournalArticle
AID18907Half life determined from epimerization data at 37 degree C in human blood serum 31994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID48214Tested for the ability to inhibit human neutrophil cathepsin G at 0.5 mM1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID156907Tested for the ability to inhibit pepsin at 0.2 mM1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID66802Binding affinity for purified Human neutrophil elastase was determined in vitro.1995Journal of medicinal chemistry, Jan-20, Volume: 38, Issue:2
Inhibition of human neutrophil elastase. 3. An orally active enol acetate prodrug.
AID50111Tested for the ability to inhibit bovine liver cathepsin B at 0.5 mM1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID18902Half life determined from epimerization data at 37 degree C in Tween 20 (81 mM)1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID233484Inhibition of HNE-induced pulmonary hemorrhage when the compound was administered before 30 or 45 min at the dose of 50 mg/kg; orally active1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID18905Half life determined from epimerization data at 37 degree C in human blood serum 11994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID85336In vivo HNE inhibitory activity of lung hemorrhage in 6-8 hamsters1998Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14
Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
AID66834In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID18901Half life determined from epimerization data at 37 degree C in BigCHAP (33 mM); Not observed1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID18903Half life determined from epimerization data at 37 degree C in buffered saline1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID84685Ability to inhibit HNE-induced pulmonary hemorrhage, was examined in vivo in hamsters, after administering the compound orally 30 min prior to intratracheal instillation of 25 microg of HNE1995Journal of medicinal chemistry, Jan-20, Volume: 38, Issue:2
Inhibition of human neutrophil elastase. 3. An orally active enol acetate prodrug.
AID182752In vivo inhibitory activity against HNE-induced pulmonary hemorrhage was determined in rats after oral administration of 50 mg/kg1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID85338In vivo inhibitory activity against HNE-induced pulmonary hemorrhage was determined in hamsters after oral administration of 25 mg/kg1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID213266Tested for the ability to inhibit bovine thrombin at 0.5 mM1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID67356Tested for the ability to inhibit rat kidney enkephalinase at 0.5 mM1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID66816Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.1998Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14
Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
AID18906Half life determined from epimerization data at 37 degree C in human blood serum 21994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
AID18904Half life determined from epimerization data at 37 degree C in human blood plasma1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Inhibition of human neutrophil elastase with peptidyl electrophilic ketones. 2. Orally active PG-Val-Pro-Val pentafluoroethyl ketones.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's5 (83.33)18.2507
2000's0 (0.00)29.6817
2010's1 (16.67)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: 12.38

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 Index12.38 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.32 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.38)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
ConditionIndicatedRelationship StrengthStudiesTrials
Bleeding
[description not available]		02.6830
Hemorrhage
Bleeding or escape of blood from a vessel.		02.6830
Disease, Pulmonary
[description not available]		02.3920
Lung Diseases
Pathological processes involving any part of the LUNG.		02.3920
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		01.9810
Polyarthritis
[description not available]		01.9910
Adjuvant Arthritis
[description not available]		06.9910
Arthritis
Acute or chronic inflammation of JOINTS.		06.9910