Compounds > kjm 429
Page last updated: 2024-11-12

kjm 429

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Description

MK-056: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID10135969
CHEMBL ID228451
SCHEMBL ID1268701
MeSH IDM0439753

Synonyms (10)

Synonym
kjm429
3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfonamidophenyl)methyl]thiourea
chembl228451 ,
bdbm20315
mk-056
SCHEMBL1268701
n-(4-t-butylbenzyl)-n'-[4-(methyl-sulfonylamino)benzyl]thiourea
1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea
401907-57-1
n-[4-[[[[[[4-(1,1-dimethylethyl)phenyl]methyl]amino]thioxomethyl]amino]-methyl]phenyl]-methanesulfonamide
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Transient receptor potential cation channel subfamily V member 1Rattus norvegicus (Norway rat)IC50 (µMol)0.11000.00040.21474.0000AID179770; AID218303; AID255029; AID456198
Transient receptor potential cation channel subfamily V member 1Rattus norvegicus (Norway rat)Ki0.05890.00010.64456.4000AID1797968; AID238266; AID238267; AID238617; AID238618; AID289349; AID289351; AID395174; AID395176; AID668947; AID668951
Aldehyde dehydrogenase, mitochondrial Rattus norvegicus (Norway rat)Ki0.05390.05390.05390.0539AID395176
Transient receptor potential cation channel subfamily V member 4Rattus norvegicus (Norway rat)IC50 (µMol)0.11000.03701.45415.9000AID179770; AID218303
Transient receptor potential cation channel subfamily V member 2Rattus norvegicus (Norway rat)IC50 (µMol)0.11000.03701.93458.6000AID179770; AID218303
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Transient receptor potential cation channel subfamily V member 1Rattus norvegicus (Norway rat)EC50 (µMol)100.00000.00050.43182.3800AID456197
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (27)

Assay IDTitleYearJournalArticle
AID1797968Competition Binding Assay and Inhibition of Ca2+ Uptake Assay from Article 10.1016/j.bmc.2007.06.041: \\Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists.\\2007Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18
Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists.
AID255029Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes2005Journal of medicinal chemistry, Sep-08, Volume: 48, Issue:18
Novel potent antagonists of transient receptor potential channel, vanilloid subfamily member 1: structure-activity relationship of 1,3-diarylalkyl thioureas possessing new vanilloid equivalents.
AID175670Effective concentration of compound to induce 45 [Ca2+] influx in neonatal rat cultured spinal sensory neurons2004Bioorganic & medicinal chemistry letters, Apr-05, Volume: 14, Issue:7
Chain-branched 1,3-dibenzylthioureas as vanilloid receptor 1 antagonists.
AID395175Agonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay2009European journal of medicinal chemistry, Jan, Volume: 44, Issue:1
Conformationally constrained analogues of N'-(4-tert-butylbenzyl)-N-(4-methylsulfonylaminobenzyl)thiourea as TRPV1 antagonists.
AID668949Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as increase in intracellular 45Ca2+ uptake after 1 hr by fluorometric analysis2012Bioorganic & medicinal chemistry, Jan-01, Volume: 20, Issue:1
N-4-t-Butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamide TRPV1 antagonists: Structure-activity relationships in the A-region.
AID246449Agonist activity by [Ca2+] uptake in CHO cells expressing rat TRPV1 at 10-30 uM; NE = Not effective2005Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18
Analysis of structure-activity relationships for the 'A-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as TRPV1 antagonists.
AID238266Antagonist activity for rat TRPV1 expressed in CHO cells2005Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18
Analysis of structure-activity relationships for the 'A-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as TRPV1 antagonists.
AID238267Antagonist activity towards rat TRPV1 expressed in CHO cells2005Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18
Analysis of structure-activity relationships for the 'B-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists.
AID175850In vitro induction of 45 [Ca2+] influx in rat DRG neurons (ineffective at 30 uM)2004Bioorganic & medicinal chemistry letters, Apr-05, Volume: 14, Issue:7
N-4-methansulfonamidobenzyl-N'-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands.
AID180309Inhibition of [Ca2+] uptake in dorsal root ganglion (DRG) neurons from neonatal Sprague-Dawley rat2003Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24
Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects.
AID238618In vitro inhibition of [3H]RTX binding to rat TRPV1 expressed in CHO cells2005Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18
Analysis of structure-activity relationships for the 'B-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists.
AID218164In vitro agonist activity at the vanilloid receptor in rat DRG neurons; Not effective at 30 uM.2004Bioorganic & medicinal chemistry letters, Feb-09, Volume: 14, Issue:3
N-4-Substituted-benzyl-N'-tert-butylbenzyl thioureas as vanilloid receptor ligands: investigation on the role of methanesulfonamido group in antagonistic activity.
AID456197Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting2010Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1
Silicon switch approach in TRPV1 antagonist MK-056 and its analogues.
AID668951Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by fluorometric analysis2012Bioorganic & medicinal chemistry, Jan-01, Volume: 20, Issue:1
N-4-t-Butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamide TRPV1 antagonists: Structure-activity relationships in the A-region.
AID289349Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells2007Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18
Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists.
AID218303In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.2004Bioorganic & medicinal chemistry letters, Feb-09, Volume: 14, Issue:3
N-4-Substituted-benzyl-N'-tert-butylbenzyl thioureas as vanilloid receptor ligands: investigation on the role of methanesulfonamido group in antagonistic activity.
AID456198Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillation counting2010Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1
Silicon switch approach in TRPV1 antagonist MK-056 and its analogues.
AID289351Antagonist activity at rat TRPV1 receptor expressed in CHO cells by Ca2+ uptake assay2007Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18
Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists.
AID180308Inhibitory concentration of compound against 45 [Ca2+] influx in neonatal rat cultured spinal sensory neurons2004Bioorganic & medicinal chemistry letters, Apr-05, Volume: 14, Issue:7
Chain-branched 1,3-dibenzylthioureas as vanilloid receptor 1 antagonists.
AID179770In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons2004Bioorganic & medicinal chemistry letters, Apr-05, Volume: 14, Issue:7
N-4-methansulfonamidobenzyl-N'-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands.
AID238617In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX2005Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18
Analysis of structure-activity relationships for the 'A-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as TRPV1 antagonists.
AID395176Antagonist activity at rat TRPV1 expressed in CHO cells assessed as capsaicin-stimulated 45Ca2+ uptake2009European journal of medicinal chemistry, Jan, Volume: 44, Issue:1
Conformationally constrained analogues of N'-(4-tert-butylbenzyl)-N-(4-methylsulfonylaminobenzyl)thiourea as TRPV1 antagonists.
AID289350Agonist activity at rat TRPV1 receptor expressed in CHO cells by Ca2+ uptake assay2007Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18
Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists.
AID246722Induction of [Ca2+] uptake in CHO cells expressing rat TRPV1 at 10-30 uM relative to 300 nM capsaicin; Not effective2005Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18
Analysis of structure-activity relationships for the 'B-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists.
AID395174Displacement of [3H]resiniferatoxin from rat TRPV1 expressed in CHO cells by scintillation counting2009European journal of medicinal chemistry, Jan, Volume: 44, Issue:1
Conformationally constrained analogues of N'-(4-tert-butylbenzyl)-N-(4-methylsulfonylaminobenzyl)thiourea as TRPV1 antagonists.
AID668947Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting2012Bioorganic & medicinal chemistry, Jan-01, Volume: 20, Issue:1
N-4-t-Butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamide TRPV1 antagonists: Structure-activity relationships in the A-region.
AID493017Wombat Data for BeliefDocking2003Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24
Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (12)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's9 (75.00)29.6817
2010's3 (25.00)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: 11.72

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 Index11.72 (24.57)
Research Supply Index2.56 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.72)

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%
Other12 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
chlorpromazine
Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.		2.0310organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
capsaicin
ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.		2.0210capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
thiourea
Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.		2.0710one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
capsazepine
capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist. capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.		3.4170benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist
iodoresiniferatoxin
iodoresiniferatoxin: a vanilloid receptor 1 antagonist		2.0210
jyl 1421
JYL 1421: a vanilloid receptor antagonist; structure in first source		3.5380
ConditionIndicatedRelationship StrengthStudiesTrials
Ache
[description not available]		02.0110
Pain
An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.		02.0110