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

Stem definitionDrug idCAS RN
antiarrhythmics 321 68-90-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benziodarone
  • cardivix
  • dilafurane
minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)
  • Molecular weight: 518.09
  • Formula: C17H12I2O3
  • CLOGP: 6.36
  • LIPINSKI: 2
  • HAC: 3
  • HDO: 1
  • TPSA: 50.44
  • ALOGS: -4.57
  • ROTB: 3

Drug dosage:

DoseUnitRoute
0.25 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Hosey CM, Chan R, Benet LZ
S (Water solubility) 0.01 mg/mL Bocci G, Oprea TI, Benet LZ

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.144 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.962 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 14.093 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 19.055 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 0.150 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 0.190 % Moderate 0.69
herg hERG pIC50 4.882 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 18.030 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 37.670 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 1.020 % Moderate 0.69
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 5.821 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 28.314 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 0.190 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.315 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.74
pppb Pig plasma protein binding (% unbound) 0.140 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 47.973 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 1.740 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 0.160 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 31.333 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 C01DX04 CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
VASODILATORS USED IN CARDIAC DISEASES
Other vasodilators used in cardiac diseases
ATC C01DX54 CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
VASODILATORS USED IN CARDIAC DISEASES
Other vasodilators used in cardiac diseases
MeSH PA D006074 Gout Suppressants
MeSH PA D014528 Uricosuric Agents
MeSH PA D018501 Antirheumatic Agents
CHEBI has role CHEBI:35554 cardiovascular drug

Related Drugs by ATC class:

C01DX Other vasodilators used in cardiac diseases 18 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

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.81 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
Transthyretin Secreted Kd 7.11 CHEMBL
Baculoviral IAP repeat-containing protein 5 Cytosolic other Kd 5.10 CHEMBL
Eyes absent homolog 3 Enzyme IC50 5.47 CHEMBL

External reference:

IDSource
D01833 KEGG_DRUG
C0053185 UMLSCUI
PJO PDB_CHEM_ID
CHEMBL232201 ChEMBL_ID
DB13277 DRUGBANK_ID
C058702 MESH_SUPPLEMENTAL_RECORD_UI
984 INN_ID
75CL65GTYR UNII
6237 PUBCHEM_CID
CHEBI:135814 CHEBI

Pharmaceutical products:

None