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

Stem definitionDrug idCAS RN
3604 51-26-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • thyropropic acid
  • atralose
  • birodan
  • triopron
  • triprop
  • Molecular weight: 635.96
  • Formula: C15H11I3O4
  • CLOGP: 5.79
  • LIPINSKI: 2
  • HAC: 4
  • HDO: 2
  • TPSA: 66.76
  • ALOGS: -5.27
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.956 Moderate 0.66
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.589 Moderate 0.66
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 79.983 10^-6 cm/s Moderate 0.66
dh-clint Dog hepatocyte intrinsic clearance 25.003 uL/min/10^6 cells Moderate 0.66
dppb Dog plasma protein binding (% unbound) 0.130 % Moderate 0.66
fcs-ppb Fetal calf serum protein binding (% unbound) 0.190 % Moderate 0.66
herg hERG pIC50 4.626 pIC50 Moderate 0.66
hh-clint Human hepatocyte intrinsic clearance 15.704 uL/min/10^6 cells Moderate 0.66
hlm-clint Human liver microsomal intrinsic clearance 5.012 uL/min/mg protein Moderate 0.66
hppb Human plasma protein binding (% unbound) 0.480 % Moderate 0.66
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 5.370 Moderate 0.66
mh-clint Mouse hepatocyte intrinsic clearance 106.170 Moderate 0.66
mppb Mouse plasma protein binding (% unbound) 0.240 Moderate 0.66
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.004 Moderate 0.66
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.190 % Moderate 0.66
rh-clint Rat hepatocyte intrinsic clearance 84.140 uL/min/10^6 cells Moderate 0.66
rh-fuinc Rat hepatocyte fraction unbound in incubation 7.760 % Moderate 0.66
rppb Rat plasma protein binding (% unbound) 0.090 % Moderate 0.66
solubility-dd Solubility at pH 7.4 in DMSO 183.654 uM Moderate 0.66

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:

None

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 8.29 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
Thyroid hormone receptor alpha Nuclear hormone receptor IC50 10.39 CHEMBL
Thyroid hormone receptor beta Nuclear hormone receptor IC50 10.72 CHEMBL
Proliferating cell nuclear antigen Nuclear other IC50 4.77 CHEMBL

External reference:

IDSource
C4726847 UMLSCUI
CHEBI:135860 CHEBI
CHEMBL291053 ChEMBL_ID
904 INN_ID
OK7481S22O UNII
5804 PUBCHEM_CID

Pharmaceutical products:

None