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

Stem definitionDrug idCAS RN
quaternary ammonium compounds 1167 5868-06-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • fentonium
  • fentonium bromide
  • phenthonium
  • phenthonium bromide
  • phentonium
  • phentonium bromide
less effect on eye, heart & gland functions than atropine; proposed for therapy of gastrointestinal ulcers; minor descriptor (78-84); on-line & Index Medicus search ATROPINE DERIVATIVES (78-84); RN given refers to bromide(3(S)-endo)-isomer
  • Molecular weight: 484.62
  • Formula: C31H34NO4
  • CLOGP: 1.52
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 63.60
  • ALOGS: -6.95
  • ROTB: 9

Drug dosage:

DoseUnitRoute
60 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.599 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 4.831 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 4.831 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 6.622 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 36.790 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 44.380 % Moderate 0.65
herg hERG pIC50 5.112 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 4.074 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 5.741 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 40.280 % Moderate 0.65
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,NTRK2,PDK1,PDK2,PDK4,PRKDC,TGFBR1 17
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 3.873 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 55.463 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 30.580 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 9.141 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.65
pppb Pig plasma protein binding (% unbound) 54.880 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 84.918 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 80.580 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 35.940 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 864.968 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 A03BB04 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
BELLADONNA AND DERIVATIVES, PLAIN
Belladonna alkaloids, semisynthetic, quaternary ammonium compounds

Related Drugs by ATC class:

A03BB Belladonna alkaloids, semisynthetic, quaternary ammonium compounds 5 drugs
cimetropiummethscopolaminemethylatropinemethylhomatropinescopolamine butylbromide

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 13.24 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07951 KEGG_DRUG
34786-74-8 SECONDARY_CAS_RN
C0060206 UMLSCUI
CHEBI:135781 CHEBI
CHEMBL3989849 ChEMBL_ID
CHEMBL3989580 ChEMBL_ID
DB08978 DRUGBANK_ID
C100112 MESH_SUPPLEMENTAL_RECORD_UI
26BF4S8FO5 UNII
10347880 PUBCHEM_CID
3384 INN_ID

Pharmaceutical products:

None