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 378.42 79.87 80 2097 7661 63479184
Pulmonary toxicity 356.93 79.87 79 2098 9376 63477469
Neoplasm malignant 271.15 79.87 80 2097 29781 63457064
Joint injury 267.52 79.87 79 2098 29493 63457352
Hepatotoxicity 254.15 79.87 80 2097 36961 63449884
C-reactive protein abnormal 221.21 79.87 76 2101 46020 63440825
Therapy non-responder 198.04 79.87 80 2097 75821 63411024
Joint stiffness 196.80 79.87 68 2109 41801 63445044
Musculoskeletal pain 186.22 79.87 81 2096 92196 63394649
Drug hypersensitivity 152.67 79.87 107 2070 310580 63176265
Therapeutic product effect incomplete 130.78 79.87 70 2107 124986 63361859
Musculoskeletal stiffness 130.53 79.87 80 2097 184538 63302307
Treatment failure 122.50 79.87 79 2098 198964 63287881
Infection 112.36 79.87 79 2098 229094 63257751
Arthropathy 92.53 79.87 71 2106 234721 63252124
Pain in extremity 90.57 79.87 81 2096 331405 63155440
Joint swelling 87.39 79.87 79 2098 327587 63159258

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
Gastrointestinal toxicity 176.73 62.25 38 1299 8071 79734980
Pulmonary toxicity 159.13 62.25 38 1299 12876 79730175
Joint injury 125.74 62.25 38 1299 31297 79711754
Neoplasm malignant 125.18 62.25 38 1299 31772 79711279
Joint stiffness 111.81 62.25 37 1300 40793 79702258
Hepatotoxicity 107.30 62.25 38 1299 51314 79691737
Therapy non-responder 105.52 62.25 44 1293 92261 79650790
Drug hypersensitivity 97.65 62.25 61 1276 298855 79444196
C-reactive protein abnormal 94.25 62.25 34 1303 48333 79694718
Musculoskeletal pain 85.06 62.25 39 1298 102315 79640736
Musculoskeletal stiffness 62.72 62.25 38 1299 174970 79568081

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 | 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:

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
10472 RXNORM
5568 MMSL
NOCODE MMSL
003125 NDDF
016161 NDDF
3379001 SNOMEDCT_US
411211004 SNOMEDCT_US
C0039867 UMLSCUI
D013849 MESH_DESCRIPTOR_UI
16684434 PUBCHEM_CID
2548 INN_ID
2225PI3MOV UNII

Pharmaceutical products:

None