Compound Detail
CHEMBL1139
EPOPROSTENOL 💊 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
Basic Information
| ChEMBL ID | CHEMBL1139 |
| Name | EPOPROSTENOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KAQKFAOMNZTLHT-OZUDYXHBSA-N |
| Therapeutic | ✓ Yes |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
16
Publications
10
Known Names
7
Indications
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 |
Indications
Thrombosis Hypertension, Pulmonary Hypertension, Pulmonary Reperfusion Injury Severe Acute Respiratory Syndrome Subarachnoid Hemorrhage Brain Injuries
ATC Classification
B01AC09
epoprostenol
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTITHROMBOTIC AGENTS
Activity Summary
IC50 4 meas. best 9.18
EC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 9.18 | 8.64 | 0.7 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.48 | 8.015 | 3.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.05 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 0.66 | nM | 9.18 | In vitro inhibition of ADP (0.5 x 10E-9 M)-induced platelet aggregation in human... | 2419560 |
| Rattus norvegicus | IC50 | = | 2.6 | nM | 8.59 | In vitro inhibition of ADP (1.25 x 10E-6 M)-induced platelet aggregation in rat ... | 2419560 |
| Unchecked | EC50 | = | 3.3 | nM | 8.48 | Tested for effect to cause relaxation of renal mesenteric artery previously cont... | 6988588 |
| Homo sapiens | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of 5.86 uM ADP-induced human platelet aggregation in platele... | 7504734 |
| Unchecked | EC50 | = | 28.0 | nM | 7.55 | Tested for effect to cause relaxation of bovine coronary artery | 6988588 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of ADP-induced human platelet aggregation. | 1404230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 6854582 | 10.1021/jm00360a004 | Homo sapiens | 3 |
| 6988588 | 10.1021/jm00177a003 | Unchecked | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 6993680 | 10.1021/jm00180a001 | ADMET | 1 |
| 6854582 | 10.1021/jm00360a004 | Rattus norvegicus | 1 |
| 1404230 | 10.1021/jm00097a006 | Unchecked | 1 |
| 2419560 | 10.1021/jm00153a001 | Homo sapiens | 1 |
| 2419560 | 10.1021/jm00153a001 | Rattus norvegicus | 1 |
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 1 |
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine