Compound Detail
CHEMBL2093999
ISTAROXIME 🧪 Phase II
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🧪 Phase II
C[C@]12CCC(=NOCCN)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL2093999 |
| Name | ISTAROXIME |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MPYLDWFDPHRTEG-IFVNMTGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names
3
Indications
2
Mechanisms
Molecular Properties
360.5
MW (Da)
3.11
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
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 | ✓ | ✓ |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 activator | ACTIVATOR | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | ✓ | ✓ |
Indications
Heart Failure Heart Failure Shock
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase alpha chain 2 CHEMBL2933 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase alpha chain 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against Na+/K+ ATPase | 12904068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12904068 | 10.1021/jm030830y | Cavia porcellus | 5 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 12904068 | 10.1021/jm030830y | Potassium-transporting ATPase alpha chain 2 | 1 |
Data from ChEMBL 36 via Core Engine