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

Stem definitionDrug idCAS RN
anti-infectives, sulfonamides 3567 515-49-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • sulfathiourea
  • solufontamide
  • sulfanilthiocarbamide
  • sulfanilthiourea
  • sulfathiocarbamid
  • sulfathiocarbamide
  • Molecular weight: 231.29
  • Formula: C7H9N3O2S2
  • CLOGP: 0.49
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 3
  • TPSA: 98.21
  • ALOGS: -2.83
  • ROTB: 1

Drug dosage:

DoseUnitRoute
6 g O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.865 Moderate 0.67
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.607 Moderate 0.67
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.483 10^-6 cm/s Moderate 0.67
dh-clint Dog hepatocyte intrinsic clearance 2.339 uL/min/10^6 cells Moderate 0.67
dppb Dog plasma protein binding (% unbound) 29.760 % Moderate 0.67
fcs-ppb Fetal calf serum protein binding (% unbound) 34.260 % Moderate 0.67
herg hERG pIC50 3.858 pIC50 Moderate 0.67
hh-clint Human hepatocyte intrinsic clearance 2.046 uL/min/10^6 cells Moderate 0.67
hlm-clint Human liver microsomal intrinsic clearance 3.350 uL/min/mg protein Moderate 0.67
hppb Human plasma protein binding (% unbound) 19.030 % Moderate 0.67
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 74
kinase-selectivity-class ACVR2A,AURKA,AXL,CAMK2D,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK1,JAK2,MAP2K3,MAP2K6,MAP3K7,MAP4K1,MAPK12,MAPK7,MARK4,MTOR,NTRK3,PDK1,PDK4,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TTK,ULK1,ULK2 34
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.445 Moderate 0.67
mh-clint Mouse hepatocyte intrinsic clearance 1.276 Moderate 0.67
mppb Mouse plasma protein binding (% unbound) 49.830 Moderate 0.67
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.249 Moderate 0.67
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 24.450 % Moderate 0.67
rh-clint Rat hepatocyte intrinsic clearance 0.711 uL/min/10^6 cells Moderate 0.67
rh-fuinc Rat hepatocyte fraction unbound in incubation 93.260 % Moderate 0.67
rppb Rat plasma protein binding (% unbound) 12.080 % Moderate 0.67
solubility-dd Solubility at pH 7.4 in DMSO 912.011 uM Moderate 0.67

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 J01EB08 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
SULFONAMIDES AND TRIMETHOPRIM
Short-acting sulfonamides
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:36047 antibacterial drug
CHEBI has role CHEBI:50502 EC 2.5.1.15 (dihydropteroate synthase) inhibitor

Related Drugs by ATC class:

J01EB Short-acting sulfonamides 7 drugs
sulfadimidinesulfafurazolesulfamethizolesulfanilamidesulfapyridinesulfathiazolesulfisomidine

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

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.31 acidic
pKa2 2.09 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07239 KEGG_DRUG
C0075539 UMLSCUI
CHEBI:131723 CHEBI
CHEMBL2107489 ChEMBL_ID
DB13699 DRUGBANK_ID
3000579 PUBCHEM_CID
C025270 MESH_SUPPLEMENTAL_RECORD_UI
12745 IUPHAR_LIGAND_ID
4161 INN_ID
MXF9G4I1V5 UNII
78959000 SNOMEDCT_US

Pharmaceutical products:

None