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

Stem definitionDrug idCAS RN
local anaesthetics 3805 94-23-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • parethoxycaine
  • parethoxycaine hydrochloride
  • parethoxycaine HCl
  • Molecular weight: 265.35
  • Formula: C15H23NO3
  • CLOGP: 3.96
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 0
  • TPSA: 38.77
  • ALOGS: -2.37
  • ROTB: 9

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.744 Moderate 0.72
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.333 Moderate 0.72
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 35.810 10^-6 cm/s Moderate 0.72
dh-clint Dog hepatocyte intrinsic clearance 175.792 uL/min/10^6 cells Moderate 0.72
dppb Dog plasma protein binding (% unbound) 49.650 % Moderate 0.72
fcs-ppb Fetal calf serum protein binding (% unbound) 48.040 % Moderate 0.72
herg hERG pIC50 5.719 pIC50 Moderate 0.72
hh-clint Human hepatocyte intrinsic clearance 71.450 uL/min/10^6 cells Moderate 0.72
hlm-clint Human liver microsomal intrinsic clearance 57.016 uL/min/mg protein Moderate 0.72
hppb Human plasma protein binding (% unbound) 50.350 % Moderate 0.72
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.120 Moderate 0.72
mh-clint Mouse hepatocyte intrinsic clearance 445.656 Moderate 0.72
mppb Mouse plasma protein binding (% unbound) 70.720 Moderate 0.72
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.207 Moderate 0.72
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 75.300 % Moderate 0.72
rh-clint Rat hepatocyte intrinsic clearance 392.645 uL/min/10^6 cells Moderate 0.72
rh-fuinc Rat hepatocyte fraction unbound in incubation 85.450 % Moderate 0.72
rppb Rat plasma protein binding (% unbound) 55.390 % Moderate 0.72
solubility-dd Solubility at pH 7.4 in DMSO 706.318 uM Moderate 0.72

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 8.8 Basic

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
Sodium channel alpha subunits; brain (Types I, II, III) Ion channel IC50 4.62 CHEMBL

External reference:

IDSource
C0771503 UMLSCUI
CHEBI:135095 CHEBI
CHEMBL421669 ChEMBL_ID
CHEMBL1603742 ChEMBL_ID
7183 PUBCHEM_CID
18 INN_ID
136-46-9 SECONDARY_CAS_RN
68E52E5J67 UNII
236249 RXNORM
005504 NDDF
005505 NDDF

Pharmaceutical products:

None