thiomersal 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
Drug hypersensitivity 132.30 0 24 3 46619 2311439

FDA Adverse Event Reporting System (Male)

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

Pharmacologic Action:

SourceCodeDescription
ATC D08AK06 DERMATOLOGICALS
ANTISEPTICS AND DISINFECTANTS
ANTISEPTICS AND DISINFECTANTS
Mercurial products
MeSH PA D010592 Pharmaceutic Aids
MeSH PA D011310 Preservatives, Pharmaceutical
CHEBI has role CHEBI:88188 drug allergen
CHEBI has role CHEBI:86327 antifungal drug
CHEBI has role CHEBI:48218 antiseptic drug
FDA EPC N0000185508 Standardized Chemical Allergen
FDA PE N0000175629 Increased Histamine Release
FDA PE N0000184306 Cell-mediated Immunity
FDA CS M0000728 Allergens

Drug Use (View source of the data)

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 6.03 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
Mitogen-activated protein kinase 3 Kinase IC50 6.11 DRUG MATRIX
Carbonic anhydrase 12 Enzyme Ki 5.16 CHEMBL
Carbonic anhydrase 4 Enzyme Ki 5.25 CHEMBL
Carbonic anhydrase 13 Enzyme Ki 5.16 CHEMBL
Carbonic anhydrase 3 Enzyme Ki 5.20 CHEMBL
Carbonic anhydrase 5A, mitochondrial Enzyme Ki 5.14 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 5.18 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 4.96 CHEMBL
Carbonic anhydrase 5B, mitochondrial Enzyme Ki 5.23 CHEMBL
Carbonic anhydrase 6 Enzyme Ki 5.29 CHEMBL
Toll-like receptor 9 Membrane receptor IC50 5.20 CHEMBL
Beta-lactamase Unclassified IC50 4.77 CHEMBL

External reference:

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

Pharmaceutical products:

None