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thiomersal 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
mercury-containing drugs, antimicrobial or diuretic	4733	54-64-8

Description:

Molecule	Description
Synonyms: thiomersal ethylmercurithiosalicylate sodium salt mercurothiolate merthiolate merthiolate sodium sodium merthiolate thimerosal thimersalate thiomersalate	An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate. Molecular weight: 404.81 Formula: C9H9HgNaO2S CLOGP: LIPINSKI: None HAC: None HDO: None TPSA: ALOGS: ROTB: None

Molecule

Description

Synonyms:

thiomersal
ethylmercurithiosalicylate sodium salt
mercurothiolate
merthiolate
merthiolate sodium
sodium merthiolate
thimerosal
thimersalate
thiomersalate

An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.

Molecular weight: 404.81
Formula: C9H9HgNaO2S
CLOGP:
LIPINSKI: None
HAC: None
HDO: None
TPSA:
ALOGS:
ROTB: None

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Gastrointestinal toxicity	184.79	129.46	36	829	4641	50599618
Pulmonary toxicity	172.61	129.46	35	830	5527	50598732

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Drug hypersensitivity	96.97	96.74	40	345	237775	64260572

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	D08AK06	DERMATOLOGICALS ANTISEPTICS AND DISINFECTANTS ANTISEPTICS AND DISINFECTANTS Mercurial products
FDA CS	M0000728	Allergens
MeSH PA	D010592	Pharmaceutic Aids
MeSH PA	D011310	Preservatives, Pharmaceutical
CHEBI has role	CHEBI:48218	antiseptics
CHEBI has role	CHEBI:48219	disinfectants
CHEBI has role	CHEBI:86327	pharmaceutical fungicide
CHEBI has role	CHEBI:88188	allergenic drug
FDA PE	N0000175629	Increased Histamine Release
FDA PE	N0000184306	Cell-mediated Immunity
FDA EPC	N0000185508	Standardized Chemical Allergen

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN	Ki	6.70	DRUG MATRIX
Sodium-dependent serotonin transporter	Transporter	P31645	SC6A4_HUMAN	Ki	5.97	DRUG MATRIX
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN	Ki	6.04	DRUG MATRIX
5-hydroxytryptamine receptor 6	GPCR	P50406	5HT6R_HUMAN	Ki	5.56	DRUG MATRIX
Alpha-2B adrenergic receptor	GPCR	P18089	ADA2B_HUMAN	Ki	7.07	DRUG MATRIX
D(3) dopamine receptor	GPCR	P35462	DRD3_HUMAN	Ki	7.54	DRUG MATRIX
Alpha-2C adrenergic receptor	GPCR	P18825	ADA2C_HUMAN	Ki	6.14	DRUG MATRIX
Cytochrome P450 2D6	Enzyme	P10635	CP2D6_HUMAN	IC50	5.52	DRUG MATRIX
Adenosine receptor A3	GPCR	P0DMS8	AA3R_HUMAN	Ki	5.72	DRUG MATRIX
Carbonic anhydrase 4	Enzyme	P22748	CAH4_HUMAN	Ki	5.25	CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN	Ki	5.16	CHEMBL
Carbonic anhydrase 5A, mitochondrial	Enzyme	P35218	CAH5A_HUMAN	Ki	5.14	CHEMBL
Carbonic anhydrase 5B, mitochondrial	Enzyme	Q9Y2D0	CAH5B_HUMAN	Ki	5.23	CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN	Ki	4.96	CHEMBL
Toll-like receptor 9	Membrane receptor	Q9NR96	TLR9_HUMAN	IC50	5.20	CHEMBL
Carbonic anhydrase 3	Enzyme	P07451	CAH3_HUMAN	Ki	5.20	CHEMBL
Carbonic anhydrase 6	Enzyme	P23280	CAH6_HUMAN	Ki	5.29	CHEMBL
Carbonic anhydrase 14	Enzyme	Q9ULX7	CAH14_HUMAN	Ki	5.18	CHEMBL
Mitogen-activated protein kinase 3	Kinase	P27361	MK03_HUMAN	IC50	6.11	DRUG MATRIX
Carbonic anhydrase 13	Enzyme	Q8N1Q1	CAH13_HUMAN	Ki	5.16	CHEMBL
Beta-lactamase	Enzyme		Q932Y6_PSEAI	IC50	4.77	CHEMBL

External reference:

ID	Source
D00864	KEGG_DRUG
4017480	VUID
N0000145868	NUI
4017480	VANDF
CHEBI:9546	CHEBI
T0M	PDB_CHEM_ID
CHEMBL508338	ChEMBL_ID
DB11590	DRUGBANK_ID
16684434	PUBCHEM_CID
10472	RXNORM
5568	MMSL
NOCODE	MMSL
003125	NDDF
016161	NDDF
3379001	SNOMEDCT_US
411211004	SNOMEDCT_US
D013849	MESH_DESCRIPTOR_UI
C0039867	UMLSCUI
2548	INN_ID
2225PI3MOV	UNII

Pharmaceutical products:

None