General
Preferred name
DIGITOXIGENIN
Synonyms
Uzarigenin ()
Digoxigenin ()
P&D ID
PD011339
CAS
143-62-4
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Digitoxigenin is a cardenolide and aglycone constituent of digitoxin, an extract from the foxglove plant, D. purpurea. Digitoxigenin is highly cytotoxic, inhibiting Na+/K+ ATPase-dependent protein synthesis, and has been examined for use as an antitumor compound. (BOC Sciences Bioactive Compounds)
Cell lines
15
Organisms
3
Compound Sets
9
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
DrugMAP
Mcule NIBR MoA Box Subset
NIH Mechanistic Set
Novartis Chemogenetic Library (NIBR MoA Box)
Prestwick Chemical Library
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
374.25
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
3.6
TPSA
66.76
Fraction CSP3
0.87
Chiral centers
8.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Member status
member
MOA
Cardiac glycoside
ATPase inhibitor
Target
ATP1A1
Source data