bithionol indications/contra

Stem definitionDrug idCAS RN
3032 97-18-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bithionol
  • actamer
  • bidiphen
  • bisoxyphen
  • bitionol
  • lorothidol
  • lorothiodol
Halogenated anti-infective agent that is used against trematode and cestode infestations.
  • Molecular weight: 356.04
  • Formula: C12H6Cl4O2S
  • CLOGP: 6.16
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 2
  • TPSA: 40.46
  • ALOGS: -5.33
  • ROTB: 2

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC D10AB01 DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Preparations containing sulfur
ATC P02BX01 ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTHELMINTICS
ANTITREMATODALS
Other antitrematodal agents
MeSH PA D000871 Anthelmintics
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000891 Anti-Infective Agents, Local
MeSH PA D000977 Antiparasitic Agents
MeSH PA D000980 Antiplatyhelmintic Agents
CHEBI has role CHEBI:86328 antifungal agrochemical
CHEBI has role CHEBI:35684 antiplatyhelmintic drug

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.75 acidic
pKa2 7.52 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Mu-type opioid receptor GPCR Ki 5.65 DRUG MATRIX
Adenosine receptor A2a GPCR Ki 6.18 DRUG MATRIX
Alpha-2A adrenergic receptor GPCR Ki 5.84 DRUG MATRIX
Sodium-dependent noradrenaline transporter Transporter Ki 5.91 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR Ki 5.50 DRUG MATRIX
5-hydroxytryptamine receptor 2B GPCR Ki 5.36 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 5.34 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 6.25 DRUG MATRIX
D(3) dopamine receptor GPCR Ki 5.84 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 6.20 DRUG MATRIX
Sodium-dependent dopamine transporter Transporter Ki 5.76 DRUG MATRIX
Adenosine receptor A3 GPCR Ki 6.33 DRUG MATRIX
Epidermal growth factor receptor Kinase IC50 6.21 DRUG MATRIX
Tyrosine-protein kinase Lck Kinase IC50 5.65 DRUG MATRIX
Receptor tyrosine-protein kinase erbB-2 Kinase IC50 5.67 DRUG MATRIX
Thromboxane-A synthase Enzyme IC50 5.74 DRUG MATRIX
Mitogen-activated protein kinase 14 Kinase IC50 6.50 DRUG MATRIX
Substance-K receptor GPCR Ki 5.81 DRUG MATRIX
Mitogen-activated protein kinase 1 Kinase IC50 6.41 DRUG MATRIX
Solute carrier family 22 member 3 Transporter IC50 5.26 CHEMBL
Solute carrier family 22 member 1 Transporter IC50 5.41 CHEMBL
Solute carrier family 22 member 2 Transporter IC50 5.72 CHEMBL
Multidrug and toxin extrusion protein 2 Transporter IC50 5.18 CHEMBL
Multidrug and toxin extrusion protein 1 Transporter IC50 5.28 CHEMBL
Estrogen receptor Nuclear hormone receptor IC50 5.40 CHEMBL
Estrogen receptor beta Nuclear hormone receptor IC50 5.09 CHEMBL
Sodium/potassium-transporting ATPase subunit alpha-2 Ion channel IC50 5.30 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR IC50 5.26 CHEMBL
Envelope glycoprotein gp160 Unclassified IC50 5.21 CHEMBL
M1-family alanyl aminopeptidase Unclassified IC50 4.37 CHEMBL
Potassium channel subfamily T member 1 Unclassified ACTIVATOR EC50 6 IUPHAR

External reference:

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IDSource
2338 IUPHAR_LIGAND_ID
D00802 KEGG_DRUG
CHEMBL290106 ChEMBL_ID
N0000166593 NDFRT
10016008 SNOMEDCT_US
002972 NDDF
AMT77LS62O UNII
201 INN_ID
2406 PUBCHEM_CID
D001735 MESH_DESCRIPTOR_UI
DB04813 DRUGBANK_ID
CHEBI:3131 CHEBI
B1T PDB_CHEM_ID

Pharmaceutical products:

None