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

Stem definitionDrug idCAS RN
quaternary ammonium compounds 320 16175-92-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzilonium
  • benzilone
  • benzilonium bromide
  • Molecular weight: 354.47
  • Formula: C22H28NO3
  • CLOGP: 0.66
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 46.53
  • ALOGS: -6.02
  • ROTB: 7

Drug dosage:

DoseUnitRoute
70 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.537 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.824 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.494 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 2.858 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 68.980 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 61.310 % Moderate 0.65
herg hERG pIC50 4.624 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 1.042 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 4.613 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 74.690 % Moderate 0.65
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP3K7,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 23
kinase-selectivity-class AXL,GRK2,PDK4 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.259 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 42.954 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 73.540 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.288 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 79.850 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 29.923 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 84.120 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 66.920 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 912.011 uM Moderate 0.65

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 A03AB01 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthetic anticholinergics, quaternary ammonium compounds

Related Drugs by ATC class:

A03AB Synthetic anticholinergics, quaternary ammonium compounds 19 drugs
(2-benzhydryloxyethyl)diethyl-methylammonium iodidebevoniumdiphemanilfenpiveriniumglycopyrronium bromidehexocycliumisopropamidemepenzolatemethantheliniumotilonium bromideoxyphenoniumpenthienate show all 19 →

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 13.68 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D03088 KEGG_DRUG
C2828307 UMLSCUI
CHEMBL2110788 ChEMBL_ID
DB13369 DRUGBANK_ID
CHEMBL2106061 ChEMBL_ID
66248 PUBCHEM_CID
1050-48-2 SECONDARY_CAS_RN
GY56LQX77B UNII
CHEBI:135496 CHEBI
1156 INN_ID
C004460 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None