Compound Detail
CHEMBL506569
LANATOSIDE C 🧪 Phase II
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🧪 Phase II
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]5C[C@@H](O)[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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL506569 |
| Name | LANATOSIDE C |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JAYAGJDXJIDEKI-PTGWOZRBSA-N |
| Therapeutic | ✓ Yes |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
14
Known Names
1
Indications
1
Mechanisms
Molecular Properties
985.1
MW (Da)
0.61
ALogP
20
HBA
8
HBD
288.3
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium/potassium-transporting ATPase inhibitor | INHIBITOR | Sodium/potassium-transporting ATPase | ✓ | ✓ |
Indications
Cardiovascular Diseases
ATC Classification
C01AA06
lanatoside C
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
IC50 5 meas. best 6.72
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | IC50 | 6.72 | 6.51 | 190.0 | 2 |
| dengue virus type 3 CHEMBL612717 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| dengue virus type 1 CHEMBL613360 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| dengue virus type 4 CHEMBL613728 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | IC50 | = | 190.0 | nM | 6.72 | Antiviral activity against DENV2 infected in human Huh7 cells up to 72 hrs by im... | 31128447 |
| Vaccinia virus | EC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Vaccinia virus infected in African green monkey CV-1 ... | 36961984 |
| dengue virus type 1 | IC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Dengue virus 1 infected in human Huh7 cells assessed ... | 26771861 |
| dengue virus type 2 | IC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Dengue virus 2 infected in human Huh7 cells assessed ... | 26771861 |
| dengue virus type 3 | IC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Dengue virus 3 infected in human Huh7 cells assessed ... | 26771861 |
| dengue virus type 4 | IC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Dengue virus 4 infected in human Huh7 cells assessed ... | 26771861 |
Literature References
Data from ChEMBL 36 via Core Engine