bithionol Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

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

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

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
CHEBI has role CHEBI:35684 antiplatyhelmintic agent
CHEBI has role CHEBI:86328 antifungal agrichemical
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

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

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:

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:

IDSource
AMT77LS62O UNII
D00802 KEGG_DRUG
C0005661 UMLSCUI
CHEBI:3131 CHEBI
2406 PUBCHEM_CID
CHEMBL290106 ChEMBL_ID
DB04813 DRUGBANK_ID
D001735 MESH_DESCRIPTOR_UI
201 INN_ID
2338 IUPHAR_LIGAND_ID
002972 NDDF
10016008 SNOMEDCT_US

Pharmaceutical products:

None