Thimerosal 0.85μM R08 exp529

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

Compound References

PubChem Name: Thimerosal
Synonyms: N/A
CAS #: 54-64-8
PubChem CID: 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

Compound Supplier

Supplier Name: Med Chem Express
Catalog #: HY-19588
Lot #: 27402

Compound Characterization

XRPD: Expected C9H9HgNaO2S; found C9H9HgNaO2S

Dose Response Curve

Platform ID: Thimerosal
Min: -8.7605; Max: 99.8675

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

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	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
ABCC1	-5.26	<0.01
MSI2	-3.83	<0.01
WDR26	-3.63	<0.01
GSS	-3.60	<0.01
STMN1	-3.47	<0.01
NPRL3	-3.36	<0.01
GCLM	-3.32	<0.01
NGLY1	-3.30	<0.01
GCLC	-3.25	<0.01
XPR1	-3.18	<0.01
SSH2	-3.14	<0.01
LRP8	-2.91	<0.01
CCT2	-2.86	0.25
YPEL5	-2.80	<0.01
KIF15	-2.75	<0.01
DDI2	-2.60	0.01
SLC7A11	-2.58	0.02
MDM2	-2.57	0.07
TNPO3	-2.55	0.19
OTUB1	-2.54	0.04
FAM111B	-2.52	0.02
CPSF2	-2.44	0.20
TUBA1B	-2.43	0.06
GPX4	-2.40	0.04
MTMR4	-2.36	0.05
KIAA0020	-2.31	0.15
RANBP1	-2.29	0.06
HNRNPK	-2.26	0.17
GAK	-2.25	0.07
CNOT8	-2.25	0.07
GFM1	2.73	0.01
LARS2	2.75	<0.01
HMGXB3	2.77	<0.01
BACH2	2.77	<0.01
KMT2D	2.77	<0.01
NARS2	2.77	<0.01
MRPS25	2.81	<0.01
PARS2	2.82	<0.01
KLF16	2.83	<0.01
SELRC1	2.84	<0.01
CARS2	2.84	<0.01
MRPL53	2.86	<0.01
RNASEH1	2.87	<0.01
EIF4A1	2.91	<0.01
UBQLN1	3.07	0.00
LPCAT3	3.09	0.00
BAK1	3.10	0.00
SRM	3.11	0.00
EARS2	3.13	<0.01
DARS2	3.18	0.01
YARS2	3.20	<0.01
TARS2	3.24	<0.01
WBSCR16	3.25	0.03
PRRC2A	3.28	0.00
EIF3H	3.34	0.00
ACSL4	3.47	0.00
RBM7	3.66	0.00
TAZ	3.74	<0.01
SEC62	3.96	0.00
IKZF1	4.11	0.00

Screen	Correlation	Plot
UM0125461 0.74μM R02 exp84	0.12	View
iCRT14 30μM R08 exp492	0.088	View
Tubacin 1.6μM R07 exp416	0.076	View
Trimetrexate 0.03μM R08 exp535	0.058	View
UMK57 1μM R01 exp59	0.053	View
UM131593 0.2μM R03 exp106	0.052	View
Hydroxyurea 100μM R07 exp329	0.171	View
PU-H71 1μM R08 exp515	0.121	View
Aphidicolin 0.4μM R08 exp440	0.112	View
Oligomycin-A 2μM R00 exp25	0.1	View
LLY-283 2.6μM R06 exp290	0.096	View
ONC212 0.15μM R08 exp513	0.094	View
GSK-J4 1.5μM R08 exp441	0.093	View
Artemisinin 50μM R08 exp450	0.091	View
CI-1040 9.5μM R08 exp472	0.089	View
Tanespimycin 14μM R08 exp527	0.089	View
Quercetin 20μM R08 exp517	0.087	View
Olaparib 4μM R08 exp512	0.086	View
Arsenate 40μM R06 exp264	0.086	View
TIC10 10μM R08 exp532	0.085	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.084	View
CR131-b 0.005μM R08 exp474	0.084	View
Pterostilbene 16μM R02 exp78	0.083	View
Hippuristanol 0.12μM R08 exp488	0.083	View
GSK626616 14μM R08 exp485	0.08	View
CB-5083 0.4μM R08 exp468	0.08	View
Benzoate 20000μM R08 exp456	0.072	View
Mitomycin-C 0.06μM R08 exp503	0.071	View
Sulforaphane 9μM R08 exp525	0.071	View
JQ1 0.8μM R08 exp435	0.07	View
Genistein 15μM R07 exp360	0.069	View
Atovaquone 15μM R08 exp451	0.069	View
AICAR 240μM R05 exp211	0.068	View
Docosahexaenoic-acid 50μM R07 exp356	0.067	View
QNZ 0.01μM R08 exp439	0.066	View
Staurosporine 0.02μM R08 exp524	0.065	View
∆-9-Tetrahydrocannabinol 30μM R08 exp445	0.063	View
Doxorubicin 0.02μM R08 exp478	0.063	View
BI-D1870 3.15μM R02 exp66	0.062	View
Bleomycin 5μM R08 exp459	0.061	View
Amiloride 100μM R08 exp447	0.06	View
SNS-032 15μM R08 exp443	0.06	View
Sulforaphane 9μM R08 exp526 no dilution day6	0.06	View
HMS-I2 10μM R06 exp288	0.059	View
Deferoxamine 11μM R07 exp350	0.059	View
42°C R08 exp539	0.056	View
Milciclib 2μM R08 exp502	0.056	View
3-Bromopyruvate 7μM R04 exp175	0.052	View
Arsenic trioxide 60μM R08 exp449	0.052	View
THZ1 0.06μM R08 exp531	0.052	View
AICAR 240μM R03 exp116	0.052	View
Dorsomorphin 5μM R07 exp357	0.051	View
Mubritinib 0.2μM R01 exp48	0.051	View

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

Table of Contents

Thimerosal 0.85μM R08 exp529

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results