General
Preferred name
METILDIGOXIN
Synonyms
Medigoxin ()
Digoxin, 4'''-o-methyl- ()
4'''-o-methyldigoxin ()
Methyldigoxin, beta ()
Lanitop ()
Lanirapid ()
Methyldigoxin ()
4'''-.beta.-methyldigoxin ()
.beta.-methyldigoxin ()
P&D ID
PD072062
CAS
30685-43-9
Tags
natural product
drug
available
Drug indication
Cardiac arrhythmias
Congestive heart failure
Drug Status
experimental
approved
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
794.45
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
8
Aromatic Ring Count
0
cLogP
2.87
TPSA
192.06
Fraction CSP3
0.93
Chiral centers
21.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
