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

Stem definitionDrug idCAS RN
335 120-51-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzyl benzoate
  • ascabin
  • ascabiol
  • benylate
  • benzyl benzenecarboxylate
  • benzyl phenylformate
  • scobenol
  • phenylmethyl benzoate
  • Molecular weight: 212.25
  • Formula: C14H12O2
  • CLOGP: 3.94
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 0
  • TPSA: 26.30
  • ALOGS: -4.03
  • ROTB: 4

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.786 Moderate 0.76
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.428 Moderate 0.76
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 58.749 10^-6 cm/s Moderate 0.76
dh-clint Dog hepatocyte intrinsic clearance 595.662 uL/min/10^6 cells Moderate 0.76
dppb Dog plasma protein binding (% unbound) 1.660 % Moderate 0.76
fcs-ppb Fetal calf serum protein binding (% unbound) 1.980 % Moderate 0.76
herg hERG pIC50 4.679 pIC50 Moderate 0.76
hh-clint Human hepatocyte intrinsic clearance 796.159 uL/min/10^6 cells Moderate 0.76
hlm-clint Human liver microsomal intrinsic clearance 444.631 uL/min/mg protein Moderate 0.76
hppb Human plasma protein binding (% unbound) 1.430 % Moderate 0.76
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,MARK4,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK 38
kinase-selectivity-class AXL,GRK2,PDK4,TTK 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.101 Moderate 0.76
mh-clint Mouse hepatocyte intrinsic clearance 638.263 Moderate 0.76
mppb Mouse plasma protein binding (% unbound) 2.910 Moderate 0.76
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.152 Moderate 0.76
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.060 % Moderate 0.76
rh-clint Rat hepatocyte intrinsic clearance 315.500 uL/min/10^6 cells Moderate 0.76
rh-fuinc Rat hepatocyte fraction unbound in incubation 55.840 % Moderate 0.76
rppb Rat plasma protein binding (% unbound) 3.080 % Moderate 0.76
solubility-dd Solubility at pH 7.4 in DMSO 2.018 uM Moderate 0.76

Approvals:

DateAgencyCompanyOrphan
Sept. 2, 1976 FDA LANNETT

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 P03AX01 ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
ECTOPARASITICIDES, INCL. SCABICIDES
Other ectoparasiticides, incl. scabicides
MeSH PA D007306 Insecticides
MeSH PA D010575 Pesticides
CHEBI has role CHEBI:22153 acaricide
CHEBI has role CHEBI:35442 antiparasitic agent
CHEBI has role CHEBI:73333 scabicide
CHEBI has role CHEBI:76924 plant metabolite

Related Drugs by ATC class:

P03AX Other ectoparasiticides, incl. scabicides 4 drugs

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
Beta-lactamase Enzyme IC50 4.05 CHEMBL
Hormone-sensitive lipase Enzyme IC50 5.96 CHEMBL

External reference:

IDSource
4017610 VUID
N0000145990 NUI
D01138 KEGG_DRUG
19044 RXNORM
C0053289 UMLSCUI
CHEBI:41237 CHEBI
CHEMBL1239 ChEMBL_ID
DB00676 DRUGBANK_ID
2345 PUBCHEM_CID
C006723 MESH_SUPPLEMENTAL_RECORD_UI
N863NB338G UNII
4265 MMSL
4821 MMSL
BZM PDB_CHEM_ID
4017610 VANDF
002992 NDDF
387263009 SNOMEDCT_US
48256008 SNOMEDCT_US

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Anubis Barcelona Regul Oil HUMAN OTC DRUG LABEL 38 83021-742 CREAM 0.00 g TOPICAL OTC monograph final 9 sections