Acetyldigitoxin
A cardiac glycoside derived from the digitalis plant that strengthens heart contractions and slows the heart rate, historically used in the treatment of heart failure and atrial fibrillation. Like digoxin and digitoxin, it works by inhibiting a sodium-potassium pump in heart muscle cells, increasing the calcium available for contraction. It has a narrow margin between therapeutic and toxic doses, requiring careful monitoring, and has been largely replaced by safer modern heart medications.
Molecular Weight
807.0000 g/mol
LogP
2.80
TPSA
189.00 Ų
Lipinski RO5
Fail
Mechanism of Action
Inhibits the sodium-potassium ATPase pump in cardiac myocytes, increasing intracellular sodium and subsequently calcium via the sodium-calcium exchanger. This enhances cardiac contractility (positive inotropic effect).
Pharmacokinetics (PK)
Pharmacodynamics (PD)
Inhibits the sodium-potassium ATPase pump in cardiac myocytes, increasing intracellular sodium and subsequently calcium via the sodium-calcium exchanger. This enhances cardiac contractility (positive inotropic effect).
2D Structure
Cite this structure
Embed this structure
SMILES
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O
InChI
InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
Molecular Formula
C43H66O14
HBD / HBA
4 / 14
Rotatable Bonds
9
Heavy Atoms
57
No targets recorded
Target interaction data is not yet available for this drug.
No interactions recorded
Drug interaction data is not yet available for this compound.
No side effects recorded
Side effect data is not yet available for this drug.
Frequently Asked Questions
A cardiac glycoside derived from the digitalis plant that strengthens heart contractions and slows the heart rate, historically used in the treatment of heart failure and atrial fibrillation. Like digoxin and digitoxin, it works by inhibiting a sodium-potassium pump in heart muscle cells, increasing the calcium available for contraction. It has a narrow margin between therapeutic and toxic doses, requiring careful monitoring, and has been largely replaced by safer modern heart medications.
Inhibits the sodium-potassium ATPase pump in cardiac myocytes, increasing intracellular sodium and subsequently calcium via the sodium-calcium exchanger. This enhances cardiac contractility (positive inotropic effect).
Yes, Acetyldigitoxin is an approved drug. It has reached clinical phase 4. It is classified as a Small molecule.
References & Data Sources
- ChEMBL — European Bioinformatics Institute (EBI). CHEMBL3545057. Open-access bioactivity database.
- PubChem — National Center for Biotechnology Information (NCBI). CID 5284512. Chemical information database.
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-04.
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