benzyl benzoate Indications/Contra | FAERs-F | FAERs-M | Orange Bk | 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

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
Sept. 2, 1976 FDA LANNETT

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

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 acaricides
CHEBI has role CHEBI:73333 scabicides
CHEBI has role CHEBI:76924 plant metabolites

Drug Use (View source of the data)

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

External reference:

IDSource
N863NB338G UNII
4017610 VUID
N0000145990 NUI
D01138 KEGG_DRUG
4017610 VANDF
C0731336 UMLSCUI
CHEBI:41237 CHEBI
BZM PDB_CHEM_ID
CHEMBL1239 ChEMBL_ID
DB00676 DRUGBANK_ID
2345 PUBCHEM_CID
C006723 MESH_SUPPLEMENTAL_RECORD_UI
19044 RXNORM
4265 MMSL
4821 MMSL
002992 NDDF
387263009 SNOMEDCT_US
48256008 SNOMEDCT_US

Pharmaceutical products:

None