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

Stem definitionDrug idCAS RN
mercury-containing drugs, antimicrobial or diuretic 4733 54-64-8

Description:

MoleculeDescription

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 termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients 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 termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients 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:

SourceCodeDescription
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 (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Alpha-2A adrenergic receptor GPCR Ki 6.70 DRUG MATRIX
Sodium-dependent serotonin transporter Transporter Ki 5.97 DRUG MATRIX
Sodium-dependent noradrenaline transporter Transporter Ki 6.04 DRUG MATRIX
5-hydroxytryptamine receptor 6 GPCR Ki 5.56 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 7.07 DRUG MATRIX
D(3) dopamine receptor GPCR Ki 7.54 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 6.14 DRUG MATRIX
Cytochrome P450 2D6 Enzyme IC50 5.52 DRUG MATRIX
Adenosine receptor A3 GPCR Ki 5.72 DRUG MATRIX
Carbonic anhydrase 4 Enzyme Ki 5.25 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.16 CHEMBL
Carbonic anhydrase 5A, mitochondrial Enzyme Ki 5.14 CHEMBL
Carbonic anhydrase 5B, mitochondrial Enzyme Ki 5.23 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 4.96 CHEMBL
Toll-like receptor 9 Membrane receptor IC50 5.20 CHEMBL
Carbonic anhydrase 3 Enzyme Ki 5.20 CHEMBL
Carbonic anhydrase 6 Enzyme Ki 5.29 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 5.18 CHEMBL
Mitogen-activated protein kinase 3 Kinase IC50 6.11 DRUG MATRIX
Carbonic anhydrase 13 Enzyme Ki 5.16 CHEMBL
Beta-lactamase Enzyme IC50 4.77 CHEMBL

External reference:

IDSource
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