====== Thimerosal 0.85μM R08 exp529 ======
==== Mechanism of Action ====
Organomercury compound, antiseptic and antifungal, approved preservative in vaccines
* **Class / Subclass 1:** Infectious Disease / Antifungal
==== Technical Notes ====
* **PubChem Name:** %%Thimerosal%%
* **Synonyms:** N/A
* **CAS #:** 54-64-8
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/16684434|16684434]]
* **IUPAC:** %%sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury%%
* **INCHI Name:** InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
* **INCHI Key:** RTKIYNMVFMVABJ-UHFFFAOYSA-L
* **Molecular Weight:** 404.82
* **Canonical SMILES:** CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
* **Isomeric SMILES:** N/A
* **Molecular Formula:** VLALYNQHNP GASAAPCCVP QALEPLPIVY YVGRKPKVEQ LSNMIVRSCK CS
{{:chemogenomics:structures:chem-0333.svg?nolink}}
* **Supplier Name:** Med Chem Express
* **Catalog #:** HY-19588
* **Lot #:** 27402
* **XRPD:** Expected C9H9HgNaO2S; found C9H9HgNaO2S
* **Platform ID:** Thimerosal
* **Min:** -8.7605; **Max:** 99.8675
{{:chemogenomics:dose_response:dr_586.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |0.6073 |
| IC20 |0.7434 |
| IC30 |0.8504 |
| IC40 |0.9495 |
| IC50 |1.0500 |
| IC60 |1.1620 |
| IC70 |1.2980 |
| IC80 |1.4840 |
| IC90 |1.8170 |
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==== Screen Summary ====
* **Round**: 08
* **Dose**: 850nM
* **Days of incubation**: 8
* **Doublings**: 1.6
* **Numbers of reads**: 15847503
==== Screen Results ====
^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^
|20/99|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Thimerosal_0.85uM_Round-8_exp529.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp529.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:A:ABCC1|ABCC1]]|-5.26|<0.01|
|[[:human_genes:M:MSI2|MSI2]]|-3.83|<0.01|
|[[:human_genes:W:WDR26|WDR26]]|-3.63|<0.01|
|[[:human_genes:G:GSS|GSS]]|-3.60|<0.01|
|[[:human_genes:S:STMN1|STMN1]]|-3.47|<0.01|
|[[:human_genes:N:NPRL3|NPRL3]]|-3.36|<0.01|
|[[:human_genes:G:GCLM|GCLM]]|-3.32|<0.01|
|[[:human_genes:N:NGLY1|NGLY1]]|-3.30|<0.01|
|[[:human_genes:G:GCLC|GCLC]]|-3.25|<0.01|
|[[:human_genes:X:XPR1|XPR1]]|-3.18|<0.01|
|[[:human_genes:S:SSH2|SSH2]]|-3.14|<0.01|
|[[:human_genes:L:LRP8|LRP8]]|-2.91|<0.01|
|[[:human_genes:C:CCT2|CCT2]]|-2.86|0.25|
|[[:human_genes:Y:YPEL5|YPEL5]]|-2.80|<0.01|
|[[:human_genes:K:KIF15|KIF15]]|-2.75|<0.01|
|[[:human_genes:D:DDI2|DDI2]]|-2.60|0.01|
|[[:human_genes:S:SLC7A11|SLC7A11]]|-2.58|0.02|
|[[:human_genes:M:MDM2|MDM2]]|-2.57|0.07|
|[[:human_genes:T:TNPO3|TNPO3]]|-2.55|0.19|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.54|0.04|
|[[:human_genes:F:FAM111B|FAM111B]]|-2.52|0.02|
|[[:human_genes:C:CPSF2|CPSF2]]|-2.44|0.20|
|[[:human_genes:T:TUBA1B|TUBA1B]]|-2.43|0.06|
|[[:human_genes:G:GPX4|GPX4]]|-2.40|0.04|
|[[:human_genes:M:MTMR4|MTMR4]]|-2.36|0.05|
|[[:human_genes:K:KIAA0020|KIAA0020]]|-2.31|0.15|
|[[:human_genes:R:RANBP1|RANBP1]]|-2.29|0.06|
|[[:human_genes:H:HNRNPK|HNRNPK]]|-2.26|0.17|
|[[:human_genes:G:GAK|GAK]]|-2.25|0.07|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.25|0.07|
|[[:human_genes:G:GFM1|GFM1]]|2.73|0.01|
|[[:human_genes:L:LARS2|LARS2]]|2.75|<0.01|
|[[:human_genes:H:HMGXB3|HMGXB3]]|2.77|<0.01|
|[[:human_genes:B:BACH2|BACH2]]|2.77|<0.01|
|[[:human_genes:K:KMT2D|KMT2D]]|2.77|<0.01|
|[[:human_genes:N:NARS2|NARS2]]|2.77|<0.01|
|[[:human_genes:M:MRPS25|MRPS25]]|2.81|<0.01|
|[[:human_genes:P:PARS2|PARS2]]|2.82|<0.01|
|[[:human_genes:K:KLF16|KLF16]]|2.83|<0.01|
|[[:human_genes:S:SELRC1|SELRC1]]|2.84|<0.01|
|[[:human_genes:C:CARS2|CARS2]]|2.84|<0.01|
|[[:human_genes:M:MRPL53|MRPL53]]|2.86|<0.01|
|[[:human_genes:R:RNASEH1|RNASEH1]]|2.87|<0.01|
|[[:human_genes:E:EIF4A1|EIF4A1]]|2.91|<0.01|
|[[:human_genes:U:UBQLN1|UBQLN1]]|3.07|0.00|
|[[:human_genes:L:LPCAT3|LPCAT3]]|3.09|0.00|
|[[:human_genes:B:BAK1|BAK1]]|3.10|0.00|
|[[:human_genes:S:SRM|SRM]]|3.11|0.00|
|[[:human_genes:E:EARS2|EARS2]]|3.13|<0.01|
|[[:human_genes:D:DARS2|DARS2]]|3.18|0.01|
|[[:human_genes:Y:YARS2|YARS2]]|3.20|<0.01|
|[[:human_genes:T:TARS2|TARS2]]|3.24|<0.01|
|[[:human_genes:W:WBSCR16|WBSCR16]]|3.25|0.03|
|[[:human_genes:P:PRRC2A|PRRC2A]]|3.28|0.00|
|[[:human_genes:E:EIF3H|EIF3H]]|3.34|0.00|
|[[:human_genes:A:ACSL4|ACSL4]]|3.47|0.00|
|[[:human_genes:R:RBM7|RBM7]]|3.66|0.00|
|[[:human_genes:T:TAZ|TAZ]]|3.74|<0.01|
|[[:human_genes:S:SEC62|SEC62]]|3.96|0.00|
|[[:human_genes:I:IKZF1|IKZF1]]|4.11|0.00|
^Screen^Correlation^Plot^
|[[:results:exp84|UM0125461 0.74μM R02 exp84]]|0.12||
|[[:results:exp492|iCRT14 30μM R08 exp492]]|0.088||
|[[:results:exp416|Tubacin 1.6μM R07 exp416]]|0.076||
|[[:results:exp535|Trimetrexate 0.03μM R08 exp535]]|0.058||
|[[:results:exp59|UMK57 1μM R01 exp59]]|0.053||
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.052||
|[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.171||
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.121||
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.112||
|[[:results:exp25|Oligomycin-A 2μM R00 exp25]]|0.1||
|[[:results:exp290|LLY-283 2.6μM R06 exp290]]|0.096||
|[[:results:exp513|ONC212 0.15μM R08 exp513]]|0.094||
|[[:results:exp441|GSK-J4 1.5μM R08 exp441]]|0.093||
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.091||
|[[:results:exp472|CI-1040 9.5μM R08 exp472]]|0.089||
|[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.089||
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.087||
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.086||
|[[:results:exp264|Arsenate 40μM R06 exp264]]|0.086||
|[[:results:exp532|TIC10 10μM R08 exp532]]|0.085||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.084||
|[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.084||
|[[:results:exp78|Pterostilbene 16μM R02 exp78]]|0.083||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.083||
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.08||
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.08||
|[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.072||
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.071||
|[[:results:exp525|Sulforaphane 9μM R08 exp525]]|0.071||
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.07||
|[[:results:exp360|Genistein 15μM R07 exp360]]|0.069||
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.069||
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.068||
|[[:results:exp356|Docosahexaenoic-acid 50μM R07 exp356]]|0.067||
|[[:results:exp439|QNZ 0.01μM R08 exp439]]|0.066||
|[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.065||
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.063||
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.063||
|[[:results:exp66|BI-D1870 3.15μM R02 exp66]]|0.062||
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.061||
|[[:results:exp447|Amiloride 100μM R08 exp447]]|0.06||
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.06||
|[[:results:exp526|Sulforaphane 9μM R08 exp526 no dilution day6]]|0.06||
|[[:results:exp288|HMS-I2 10μM R06 exp288]]|0.059||
|[[:results:exp350|Deferoxamine 11μM R07 exp350]]|0.059||
|[[:results:exp539|42°C R08 exp539]]|0.056||
|[[:results:exp502|Milciclib 2μM R08 exp502]]|0.056||
|[[:results:exp175|3-Bromopyruvate 7μM R04 exp175]]|0.052||
|[[:results:exp449|Arsenic trioxide 60μM R08 exp449]]|0.052||
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.052||
|[[:results:exp116|AICAR 240μM R03 exp116]]|0.052||
|[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.051||
|[[:results:exp48|Mubritinib 0.2μM R01 exp48]]|0.051||
{{:chemogenomics:comparison_plots:exp529_vs_exp84.png?nolink |}}
{{:chemogenomics:comparison_plots:exp492_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp416_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp535.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp59.png?nolink |}}
{{:chemogenomics:comparison_plots:exp106_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp329_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp440_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp25_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp290_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp513_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp441_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp450_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp517_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp512_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp264_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp532.png?nolink |}}
{{:chemogenomics:comparison_plots:exp489_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp474_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp78.png?nolink |}}
{{:chemogenomics:comparison_plots:exp488_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp485_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp468_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp456_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp503_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp525_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp435_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp360_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp451_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp211_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp356_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp524_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp445_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp478_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp66.png?nolink |}}
{{:chemogenomics:comparison_plots:exp459_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp447_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp443_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp526_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp288_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp350_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp539.png?nolink |}}
{{:chemogenomics:comparison_plots:exp502_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp175_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp449_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp529_vs_exp531.png?nolink |}}
{{:chemogenomics:comparison_plots:exp116_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp357_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp48_vs_exp529.png?nolink |}}
^GO Term^Fold Change^Genes^
|nonribosomal peptide biosynthetic process|122.43|GSS,GCLM,GCLC|
|acid-amino acid ligase activity|81.62|GSS,GCLM,GCLC|
|glutathione metabolic process|54.94|GSS,GCLM,GCLC,SLC7A11,GPX4|
|response to oxidative stress|11.39|ABCC1,GSS,GCLM,GCLC,SLC7A11,MDM2,GPX4|
^GO Term^Fold Change^Genes^
|tRNA aminoacylation for mitochondrial protein translation|315.60|TARS2,YARS2,DARS2,EARS2|
|tRNA aminoacylation for protein translation|116.27|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|aminoacyl-tRNA ligase activity|116.27|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|ligase activity, forming carbon-oxygen bonds|116.27|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|tRNA aminoacylation|107.77|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|amino acid activation|105.20|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|mitochondrial RNA metabolic process|64.22|TARS2,YARS2,DARS2,EARS2,LRPPRC|
|mitochondrial translation|46.46|TARS2,YARS2,DARS2,EARS2,MRPL53,MRPS25,LARS2,MRPS27,GFM1|
|mitochondrial gene expression|35.76|TARS2,YARS2,DARS2,EARS2,MRPL53,MRPS25,LARS2,MRPS27,GFM1|
|catalytic activity, acting on a tRNA|35.35|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|ligase activity|31.66|ACSL4,TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|tRNA metabolic process|23.75|TARS2,YARS2,DARS2,EARS2,CARS2,PARS2,NARS2,LARS2|
|translation|21.66|EIF3H,TARS2,YARS2,DARS2,EARS2,EIF4A1,MRPL53,CARS2,PARS2,MRPS25,NARS2,LARS2,MRPS27,GFM1|
|peptide biosynthetic process|20.24|EIF3H,TARS2,YARS2,DARS2,EARS2,EIF4A1,MRPL53,CARS2,PARS2,MRPS25,NARS2,LARS2,MRPS27,GFM1|
|amide biosynthetic process|16.47|ACSL4,EIF3H,TARS2,YARS2,DARS2,EARS2,EIF4A1,MRPL53,CARS2,PARS2,MRPS25,NARS2,LARS2,MRPS27,GFM1|
|mitochondrial matrix|16.31|TARS2,YARS2,DARS2,EARS2,MRPL53,CARS2,PARS2,MRPS25,NARS2,LARS2,MRPS27,ALAS1,GFM1,LRPPRC|
|peptide metabolic process|16.31|EIF3H,TARS2,YARS2,DARS2,EARS2,EIF4A1,MRPL53,CARS2,PARS2,MRPS25,NARS2,LARS2,MRPS27,GFM1|
|catalytic activity, acting on RNA|14.42|TARS2,YARS2,DARS2,EARS2,EIF4A1,RNASEH1,CARS2,PARS2,NARS2,LARS2|
|amide metabolic process|10.94|ACSL4,EIF3H,TARS2,YARS2,DARS2,EARS2,EIF4A1,MRPL53,CARS2,PARS2,MRPS25,NARS2,LARS2,MRPS27,GFM1|