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

Stem definitionDrug idCAS RN
67 1111-39-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • acetyldigitoxin
  • acylanid
  • Desglucolanatoside A
  • alpha-Acetyldigitoxin
Cardioactive derivatives of lanatoside A or of DIGITOXIN. They are used for fast digitalization in congestive heart failure.
  • Molecular weight: 806.99
  • Formula: C43H66O14
  • CLOGP: 3.46
  • LIPINSKI: 2
  • HAC: 14
  • HDO: 4
  • TPSA: 188.90
  • ALOGS: -4.82
  • ROTB: 9
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
0.20 mg O

ADMET properties:

PropertyValueReference
BA (Bioavailability) 70 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.069 High 0.82
caco2-efflux Caco-2 efflux ratio (BA/AB) 6.776 High 0.82
herg hERG pIC50 4.501 pIC50 High 0.82
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 30.409 10^-6 cm/s High 0.82
dh-clint Dog hepatocyte intrinsic clearance 5.445 uL/min/10^6 cells High 0.82
dppb Dog plasma protein binding (% unbound) 26.060 % High 0.82
fcs-ppb Fetal calf serum protein binding (% unbound) 26.730 % High 0.82
hh-clint Human hepatocyte intrinsic clearance 3.126 uL/min/10^6 cells High 0.82
hlm-clint Human liver microsomal intrinsic clearance 13.521 uL/min/mg protein High 0.82
hppb Human plasma protein binding (% unbound) 26.820 % High 0.82
kinase-safety-class ACVR2B,CDK5,EIF2AK3,GRK2,ITK,PDK1,PDK2,PDK4,PRKDC 9
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 41.495 Moderate 0.68
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 12.359 High 0.82
mh-clint Mouse hepatocyte intrinsic clearance 13.428 High 0.82
mppb Mouse plasma protein binding (% unbound) 15.040 High 0.82
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 30.339 High 0.82
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.68
pppb Pig plasma protein binding (% unbound) 32.120 % High 0.82
rat-kpuu-brain Rat brain Kpuu 0.052 % Moderate 0.68
rh-clint Rat hepatocyte intrinsic clearance 6.353 uL/min/10^6 cells High 0.82
rh-fuinc Rat hepatocyte fraction unbound in incubation 64.640 % High 0.82
rppb Rat plasma protein binding (% unbound) 23.400 % High 0.82
solubility-dd Solubility at pH 7.4 in DMSO 651.628 uM High 0.82

Approvals:

DateAgencyCompanyOrphan
April 24, 1975 FDA NOVARTIS

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 C01AA01 CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
CARDIAC GLYCOSIDES
Digitalis glycosides
MeSH PA D000889 Anti-Arrhythmia Agents
MeSH PA D002316 Cardiotonic Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D020011 Protective Agents
CHEBI has role CHEBI:35554 cardiovascular drug

Related Drugs by ATC class:

C01AA Digitalis glycosides 7 drugs
acetyldigoxindeslanosidedigitoxindigoxingitoformatelanatoside Cmetildigoxin

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Congestive heart failure indication 42343007 DOID:6000
Atrial fibrillation indication 49436004 DOID:0060224




🐶 Veterinary Drug Use

None

🐶 Veterinary products

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
Sodium/potassium-transporting ATPase Transporter INHIBITOR CHEMBL CHEMBL

External reference:

IDSource
D06881 KEGG_DRUG
132871 RXNORM
C0520442 UMLSCUI
CHEBI:53773 CHEBI
CHEMBL3545057 ChEMBL_ID
D000112 MESH_DESCRIPTOR_UI
DB00511 DRUGBANK_ID
6794 IUPHAR_LIGAND_ID
792 INN_ID
0ZV4Q4L2FU UNII
5284512 PUBCHEM_CID
000596 NDDF
7834009 SNOMEDCT_US

Pharmaceutical products:

None