Compound Detail
CHEMBL494
ILOPROST 💊 Approved Drug
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💊 Approved Drug
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL494 |
| Name | ILOPROST |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HIFJCPQKFCZDDL-ACWOEMLNSA-N |
| Therapeutic | ✓ Yes |
11
Targets
41
Activities
3
Assay Types
11
PK Parameters
20
Publications
9
Known Names
17
Indications
1
Mechanisms
Molecular Properties
360.5
MW (Da)
3.54
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2003 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Prostanoid IP receptor agonist | AGONIST | Prostacyclin receptor | ✓ | ✓ |
Indications
Hypertension, Pulmonary Hypertension, Pulmonary Pulmonary Arterial Hypertension Thrombosis Raynaud Disease Respiratory Distress Syndrome Shock, Septic Heart Arrest Lung Neoplasms Lung Neoplasms Multiple Organ Failure Pulmonary Disease, Chronic Obstructive Renal Insufficiency, Chronic Scleroderma, Systemic Humeral Fractures Myocardial Infarction Asthma
ATC Classification
B01AC11
iloprost
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTITHROMBOTIC AGENTS
Activity Summary
IC50 25 meas. best 9.7
Ki 9 meas. best 9.0
EC50 7 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 9.7 | 8.5445 | 0.2 | 11 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| Prostacyclin receptor CHEMBL1995 | EC50 | 9.4 | 9.01 | 0.4 | 2 |
| Prostacyclin receptor CHEMBL3322 | EC50 | 9.16 | 9.16 | 0.7 | 1 |
| Prostacyclin receptor CHEMBL3322 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.8 | 8.785 | 1.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.6 | 7.15 | 2.5 | 2 |
| Cell line CHEMBL614840 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Prostacyclin receptor CHEMBL1995 | Ki | 8.49 | 8.266 | 3.2 | 5 |
| Plasma CHEMBL613652 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Prostacyclin receptor CHEMBL1995 | IC50 | 8.08 | 7.8663 | 8.4 | 8 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | EC50 | 6.83 | 6.26 | 147.0 | 2 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.68 | 5.68 | 2094.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 58.0 | mL.min-1.kg-1 | Macaca |
| CL | 67.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 16.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 17.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 32.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.4 | - | Homo sapiens |
| MRT | 0.39 | hr | Homo sapiens |
| T1/2 | 0.57 | hr | Homo sapiens |
| T1/2 | 0.3333 | hr | Homo sapiens |
| t1/2 | - | - | Homo sapiens |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine