Compound Detail
CHEMBL2051955
LEVOSIMENDAN 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL2051955 |
| Name | LEVOSIMENDAN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WHXMKTBCFHIYNQ-SECBINFHSA-N |
2
Targets
2
Activities
2
Assay Types
4
PK Parameters
20
Publications
8
Known Names
16
Indications
2
Mechanisms
Molecular Properties
280.3
MW (Da)
1.36
ALogP
6
HBA
2
HBD
113.4
PSA (Ų)
0.64
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 |
|---|---|---|---|---|
| Phosphodiesterase 3 inhibitor | INHIBITOR | Phosphodiesterase 3 | ✓ | ✓ |
| Troponin, cardiac muscle positive modulator | POSITIVE MODULATOR | Troponin, cardiac muscle | ✓ | ✓ |
Indications
Amyotrophic Lateral Sclerosis Cardiovascular Diseases Heart Failure Heart Failure Severe Acute Respiratory Syndrome Shock ST Elevation Myocardial Infarction Acute Kidney Injury Coronary Disease Heart Diseases Hemorrhage Hernias, Diaphragmatic, Congenital Ischemic Attack, Transient Muscular Diseases Shock, Septic Stroke
ATC Classification
C01CX08
levosimendan
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
IC50 1 meas. best 8.1
Kd 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Troponin C, slow skeletal and cardiac muscles CHEMBL2066 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.8 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.02 | - | Homo sapiens |
| MRT | 1.1 | hr | Homo sapiens |
| T1/2 | 1.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of phosphodiesterase 3 | - |
| Troponin C, slow skeletal and cardiac muscles | Kd | = | 100000.0 | nM | 4.0 | Binding affinity to recombinant human Cardiac troponin C (1 to 89 residues) expr... | 38451215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9319-0 | Rattus norvegicus | 6 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 33862515 | 10.1016/j.ejmech.2021.113396 | Danio rerio | 4 |
| 38572607 | 10.1021/acs.jmedchem.4c00345 | Danio rerio | 4 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 38852338 | 10.1016/j.ejmech.2024.116540 | Mast/stem cell growth factor receptor Kit | 1 |
| - | 10.1016/S0960-894X(01)80288-2 | NON-PROTEIN TARGET | 1 |
| 38852338 | 10.1016/j.ejmech.2024.116540 | Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha | 1 |
| 38852338 | 10.1016/j.ejmech.2024.116540 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 38852338 | 10.1016/j.ejmech.2024.116540 | Serine/threonine-protein kinase RIO3 | 1 |
| 38852338 | 10.1016/j.ejmech.2024.116540 | Serine/threonine-protein kinase RIO1 | 1 |
| 38451215 | 10.1021/acs.jmedchem.3c02412 | Troponin C, slow skeletal and cardiac muscles | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
| - | 10.1016/S0960-894X(01)80288-2 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine