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

Stem definitionDrug idCAS RN
3443 134-55-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • phenyl acetylsalicylate
  • acetylphenylsalicylate
  • acetylsalol
  • aspirin phenyl ester
  • phennin
  • vesipyrin
  • Molecular weight: 256.26
  • Formula: C15H12O4
  • CLOGP: 2.98
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 0
  • TPSA: 52.60
  • ALOGS: -4.07
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.484 Moderate 0.68
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.166 Moderate 0.68
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 50.234 10^-6 cm/s Moderate 0.68
dh-clint Dog hepatocyte intrinsic clearance 5584.702 uL/min/10^6 cells Moderate 0.68
dppb Dog plasma protein binding (% unbound) 8.680 % Moderate 0.68
fcs-ppb Fetal calf serum protein binding (% unbound) 6.030 % Moderate 0.68
herg hERG pIC50 4.505 pIC50 Moderate 0.68
hh-clint Human hepatocyte intrinsic clearance 11117.317 uL/min/10^6 cells Moderate 0.68
hlm-clint Human liver microsomal intrinsic clearance 563.638 uL/min/mg protein Moderate 0.68
hppb Human plasma protein binding (% unbound) 7.010 % Moderate 0.68
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.640 Moderate 0.68
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.608 Moderate 0.68
mh-clint Mouse hepatocyte intrinsic clearance 4055.085 Moderate 0.68
mppb Mouse plasma protein binding (% unbound) 28.660 Moderate 0.68
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.259 Moderate 0.68
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.68
pppb Pig plasma protein binding (% unbound) 17.510 % Moderate 0.68
rat-kpuu-brain Rat brain Kpuu 1.334 % Moderate 0.68
rh-clint Rat hepatocyte intrinsic clearance 225.424 uL/min/10^6 cells Moderate 0.68
rh-fuinc Rat hepatocyte fraction unbound in incubation 95.920 % Moderate 0.68
rppb Rat plasma protein binding (% unbound) 22.870 % Moderate 0.68
solubility-dd Solubility at pH 7.4 in DMSO 14.158 uM Moderate 0.68

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

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
67256 PUBCHEM_CID
7QP16N8ZNA UNII
CHEBI:135050 CHEBI

Pharmaceutical products:

None