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

Stem definitionDrug idCAS RN
4773 120-47-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ethyl hydroxybenzoate
  • ethylparaben
  • ethyl parasept
  • mycocten
  • Molecular weight: 166.18
  • Formula: C9H10O3
  • CLOGP: 2.51
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 46.53
  • ALOGS: -1.82
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.538 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.326 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 68.077 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 459.198 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 8.030 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 7.960 % Moderate 0.69
herg hERG pIC50 4.089 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 1552.387 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 327.341 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 5.030 % Moderate 0.69
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 53
kinase-selectivity-class ACVR2B,AXL,DDR1,DYRK1B,GRK2,MAP2K6,MAPK7,STK33,TEK,TTK 10
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.158 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 1766.038 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 13.460 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.841 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 10.010 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 426.580 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 94.060 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 8.700 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 384.592 uM Moderate 0.69

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:

SourceCodeDescription
ATC D01AE10 DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Other antifungals for topical use
FDA CS M0000728 Allergens
FDA PE N0000175629 Increased Histamine Release
FDA PE N0000184306 Cell-mediated Immunity
FDA EPC N0000185508 Standardized Chemical Allergen
CHEBI has role CHEBI:35718 antifungal agent
CHEBI has role CHEBI:65256 antimicrobial food preservative
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:76989 phytoestrogen

Related Drugs by ATC class:

D01AE Other antifungals for topical use 23 drugs
2-(4-chlorphenoxy)-ethanolamorolfinebromochlorosalicylanilidebutenafinechlorphenesin carbamateciclopiroxdimazoleflucytosinehaloproginliranaftatemethylrosanilinenaftifine show all 23 →

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 8.39 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
Carbonic anhydrase 2 Enzyme Ki 5.32 CHEMBL
Estrogen receptor Nuclear hormone receptor EC50 4.42 CHEMBL
Carbonic anhydrase 1 Enzyme Ki 5.10 CHEMBL
Estrogen receptor beta Nuclear hormone receptor EC50 5.73 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.09 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.07 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 5.06 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 5.11 CHEMBL

External reference:

IDSource
CHEBI:88839 CHEBI
CHEMBL15841 ChEMBL_ID
DB13628 DRUGBANK_ID
1362892 RXNORM
NOCODE MMSL
005164 NDDF
255864002 SNOMEDCT_US
411198001 SNOMEDCT_US
C3652694 UMLSCUI
E4B PDB_CHEM_ID
8434 PUBCHEM_CID
14255EXE39 UNII

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Anubis Barcelona HUMAN OTC DRUG LABEL 27 83021-617 CONCENTRATE 0 g TOPICAL OTC monograph final 9 sections
Anubis Barcelona Regul OIl HUMAN OTC DRUG LABEL 27 83021-624 CONCENTRATE 0 g TOPICAL OTC monograph final 9 sections