Compound Detail
CHEMBL962
EPOPROSTENOL SODIUM 💊 Approved Drug
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💊 Approved Drug
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL962 |
| Name | EPOPROSTENOL SODIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LMHIPJMTZHDKEW-XQYLJSSYSA-M |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1139 |
| Active Moiety | CHEMBL1139 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
8
Known Names
1
Indications
1
Mechanisms
Molecular Properties
352.5
MW (Da)
3.41
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1995 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Prostanoid IP receptor agonist | AGONIST | Prostacyclin receptor | ✓ | ✓ |
Indications
Pulmonary Arterial Hypertension
Activity Summary
EC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bos taurus CHEMBL613489 | EC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | EC50 | = | 43.0 | nM | 7.37 | Effective concentration of compound for relaxation of bovine coronary artery | 7035669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2666669 | 10.1021/jm00128a049 | Rattus norvegicus | 5 |
| 7035669 | 10.1021/jm00344a001 | Canis familiaris | 5 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 7035669 | 10.1021/jm00344a001 | Adenylate cyclase type 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 7035669 | 10.1021/jm00344a001 | Bos taurus | 1 |
| 7035669 | 10.1021/jm00344a001 | Homo sapiens | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine