4-methylbenzenethiol: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 7811 |
| CHEMBL ID | 119359 |
| SCHEMBL ID | 72612 |
| MeSH ID | M0535224 |
| 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 |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| GLI family zinc finger 3 | Homo sapiens (human) | Potency | 35.2915 | 0.0007 | 14.5928 | 83.7951 | AID1259369; AID1259392 |
| glucocorticoid receptor [Homo sapiens] | Homo sapiens (human) | Potency | 4.8972 | 0.0002 | 14.3764 | 60.0339 | AID720692 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 36.3807 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552; AID1159555 |
| retinoid X nuclear receptor alpha | Homo sapiens (human) | Potency | 8.5644 | 0.0008 | 17.5051 | 59.3239 | AID1159527; AID1159531 |
| estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 21.4175 | 0.0015 | 30.6073 | 15,848.9004 | AID1224841; AID1259401 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 54.7152 | 0.0002 | 29.3054 | 16,493.5996 | AID743069; AID743080 |
| Histone H2A.x | Cricetulus griseus (Chinese hamster) | Potency | 71.3009 | 0.0391 | 47.5451 | 146.8240 | AID1224845 |
| heat shock protein beta-1 | Homo sapiens (human) | Potency | 24.5442 | 0.0420 | 27.3789 | 61.6448 | AID743210 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID213092 | Apparent binding constant for purified human kidney TPMT | 1986 | Journal of medicinal chemistry, Mar, Volume: 29, Issue:3 | Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates. |
| AID1687068 | Inhibition 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 fo | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687067 | Inhibition 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 by | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687065 | Inhibition 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 | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687066 | Inhibition 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 co | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687062 | Inhibition 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 assay | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687064 | Inhibition 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 gr | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687063 | Inhibition 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 assay | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A road map for prioritizing warheads for cysteine targeting covalent inhibitors. |
| AID1687069 | Inhibition 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 additi | 2018 | European journal of medicinal chemistry, Dec-05, Volume: 160 | A 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] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1 (16.67) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (16.67) | 29.6817 |
| 2010's | 4 (66.67) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 6 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||