anethole trithione 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
218 532-11-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • anethole trithione
  • anethole dithiolthione
  • sulfarlem
  • sulfogal
  • sulfralem
  • tiopropen
  • trithioanethole
Choleretic used to allay dry mouth and constipation due to tranquilizers.
  • Molecular weight: 240.35
  • Formula: C10H8OS3
  • CLOGP: 3.62
  • LIPINSKI: 0
  • HAC: 1
  • HDO: 0
  • TPSA: 9.23
  • ALOGS: -4.44
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 63
kinase-selectivity-class ACVR2A,ACVR2B,AXL,BRAF,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,MAP2K6,MAPK12,MAPK7,PDK4,PRKDC,SIK2,STK33,TEK,TTK 19
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A16AX02 ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Various alimentary tract and metabolism products

Related Drugs by ATC class:

A16AX Various alimentary tract and metabolism products 23 drugs
doxecitinedoxribtimineeliglustatfosdenopteringivosiranglycerol phenylbutyratelonafarniblumasiranmigalastatmiglustatnedosirannitisinone show all 23 →

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
Triosephosphate isomerase, glycosomal Enzyme IC50 5.92 CHEMBL

External reference:

IDSource
N0000166632 NUI
820 RXNORM
C0002937 UMLSCUI
CHEBI:31221 CHEBI
CHEMBL178862 ChEMBL_ID
DB13853 DRUGBANK_ID
D000781 MESH_DESCRIPTOR_UI
2194 PUBCHEM_CID
QUY32964DJ UNII
003828 NDDF
003829 NDDF
703112006 SNOMEDCT_US

Pharmaceutical products:

None