Page last updated: 2024-11-05

4-methylbenzenethiol

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

Description

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

Cross-References

ID SourceID
PubMed CID7811
CHEMBL ID119359
SCHEMBL ID72612
MeSH IDM0535224

Synonyms (78)

Synonym
p-methylphenyl mercaptan
nsc-2227
p-tolylthiophenol
1-mercapto-4-methylbenzene
p-tolylthiol
p-thiolcresol
4-methylbenzenethiol
thio-p-cresol
4-toluenethiol
wln: shr d1
4-methylthiophenol
106-45-6
4-thiocresol
p-toluenethiol
benzenethiol, 4-methyl-
p-methylthiophenol
nsc2227
4-methylphenyl mercaptan
p-thiocresol
p-methylbenzenethiol
usaf ek-510
p-tolyl mercaptan
inchi=1/c7h8s/c1-6-2-4-7(8)5-3-6/h2-5,8h,1h
4-methylbenzenethiol, 98%
nsc-229565
nsc229565
ai3-09056
einecs 203-399-1
toluene, 4-mercapto-
4-methylphenylmercaptan
nsc 2227
brn 0605761
p-methylphenylmercaptan
hsdb 2024
toluene-4-thiol
p-mercaptotoluene
CHEMBL119359
4-methyl-benzenethiol
T0290
4-mercaptotoluene
AKOS000120273
tox21_303614
cas-106-45-6
dtxcid0028163
NCGC00257443-01
dtxsid5048188 ,
6l2ww9xyzo ,
4-06-00-02153 (beilstein handbook reference)
unii-6l2ww9xyzo
BP-12556
FT-0619525
4-methylbenzene-1-thiol
PS-5132
4-methylphenylthiol
4-thiocresol [hsdb]
p-thiocresol [mi]
p-methylphenylthiol
4-methyl-1-thiophenol
p-methylbenzenthiol
SCHEMBL72612
4-mercapto-toluene
4-methylthio-phenol
4-methyl thiophenol
4-methyl-thiophenol
paratoluenethiol
4-methylbenzene thiol
rho-thiocresol
STR00880
J-512887
J-001595
F0001-0122
mfcd00004851
(4-methyl)thiophenol
Q18466653
4-methyl benzenethiol
para-toluenethiol
EN300-18298
PD168616
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
GLI family zinc finger 3Homo sapiens (human)Potency35.29150.000714.592883.7951AID1259369; AID1259392
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency4.89720.000214.376460.0339AID720692
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency36.38070.003041.611522,387.1992AID1159552; AID1159555
retinoid X nuclear receptor alphaHomo sapiens (human)Potency8.56440.000817.505159.3239AID1159527; AID1159531
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency21.41750.001530.607315,848.9004AID1224841; AID1259401
estrogen nuclear receptor alphaHomo sapiens (human)Potency54.71520.000229.305416,493.5996AID743069; AID743080
Histone H2A.xCricetulus griseus (Chinese hamster)Potency71.30090.039147.5451146.8240AID1224845
heat shock protein beta-1Homo sapiens (human)Potency24.54420.042027.378961.6448AID743210
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (9)

Assay IDTitleYearJournalArticle
AID213092Apparent binding constant for purified human kidney TPMT1986Journal of medicinal chemistry, Mar, Volume: 29, Issue:3
Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates.
AID1687068Inhibition of recombinant cathepsin B (unknown origin) exopeptidase activity expressed in Escherichia coli assessed as residual activity at 100 uM using Abz-GIVRAK(Dnp)-OH as substrate preincubated for 30 mins under shaking in presence of 5 mM cysteine fo2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687067Inhibition of recombinant cathepsin B (unknown origin) endopeptidase activity expressed in Escherichia coli assessed as residual activity at 100 uM using Z-RR-AMC as substrate preincubated for 30 mins under shaking in presence of 5 mM cysteine followed by2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687065Inhibition of Escherichia coli MurA assessed as residual activity at 100 uM using UNAG and PEP as substrate preincubated for 30 mins in presence of UNAG followed by PEP addition and measured after 15 mins by malachite green colorimetric assay relative to 2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687066Inhibition of Escherichia coli MurA assessed as residual activity at 100 uM using UNAG and PEP as substrate preincubated for 30 mins in presence of UNAG followed by PEP addition and measured after 15 mins in presence of 5 mM cysteine by malachite green co2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687062Inhibition of Escherichia coli MurA using UNAG and PEP as substrate preincubated for 30 mins in presence of UNAG followed by PEP addition and measured after 15 mins by malachite green colorimetric assay2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687064Inhibition of Staphylococcus aureus MurA expressed in Escherichia coli assessed as residual activity at 100 uM using UNAG and PEP as substrate preincubated for 30 mins in presence of UNAG followed by PEP addition and measured after 15 mins by malachite gr2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687063Inhibition of Staphylococcus aureus MurA expressed in Escherichia coli using UNAG and PEP as substrate preincubated for 30 mins in presence of UNAG followed by PEP addition and measured after 15 mins by malachite green colorimetric assay2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
AID1687069Inhibition of recombinant cathepsin X (unknown origin) expressed in Pichia pastoris assessed as residual activity at 100 uM using Abz-Fek(Dnp)-OH as substrate preincubated for 30 mins under shaking in presence of 5 mM cysteine followed by substrate additi2018European journal of medicinal chemistry, Dec-05, Volume: 160A road map for prioritizing warheads for cysteine targeting covalent inhibitors.
[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-19901 (16.67)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)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: 28.82

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 moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index28.82 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.97 (4.65)
Search Engine Demand Index31.58 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (28.82)

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]