Drug General Information
Drug ID
D08ZNS
Former ID
DNC011988
Drug Name
DIGITOXIGENIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525814]
Structure
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2D MOL

3D MOL

Formula
C23H34O4
Canonical SMILES
CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
InChI
1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
InChIKey
XZTUSOXSLKTKJQ-CESUGQOBSA-N
PubChem Compound ID
Target and Pathway
Target(s) Sodium/potassium-transporting ATPase alpha-1 chain Target Info Inhibitor [525814]
KEGG Pathway cGMP-PKG signaling pathway
cAMP signaling pathway
Cardiac muscle contraction
Adrenergic signaling in cardiomyocytes
Insulin secretion
Thyroid hormone synthesis
Thyroid hormone signaling pathway
Aldosterone-regulated sodium reabsorption
Endocrine and other factor-regulated calcium reabsorption
Proximal tubule bicarbonate reclamation
Salivary secretion
Gastric acid secretion
Pancreatic secretion
Carbohydrate digestion and absorption
Protein digestion and absorption
Bile secretion
Mineral absorption
PathWhiz Pathway Kidney Function
Lactose Degradation
Trehalose Degradation
Muscle/Heart Contraction
Reactome Ion transport by P-type ATPases
WikiPathways Iron uptake and transport
References
Ref 525814J Med Chem. 2000 Jun 15;43(12):2332-49.17beta-O-Aminoalkyloximes of 5beta-androstane-3beta,14beta-diol with digitalis-like activity: synthesis, cardiotonic activity, structure-activity relationships,and molecular modeling of the Na(+),K(+)-ATPase receptor.
Ref 525814J Med Chem. 2000 Jun 15;43(12):2332-49.17beta-O-Aminoalkyloximes of 5beta-androstane-3beta,14beta-diol with digitalis-like activity: synthesis, cardiotonic activity, structure-activity relationships,and molecular modeling of the Na(+),K(+)-ATPase receptor.

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