Molecule Details
| InChIKey | HIFJCPQKFCZDDL-ACWOEMLNSA-N |
|---|---|
| Compound Name | Iloprost |
| Canonical SMILES | 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 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.2 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01088 |
|---|---|
| Drug Name | Iloprost |
| CAS Number | 78919-13-8 |
| Groups | approved investigational |
| ATC Codes | B01AC11 |
| Description | Iloprost is an analog of prostacyclin (PGI2; epoprostenol), an endogenous prostanoid mainly produced in the vascular endothelium. It is more stable than prostacyclin, which is short-lived.[A263326] Iloprost consists of a mixture of the 4R and 4S diastereoisomers at a ratio of approximately 53:47.[L5... |
Categories: Agents Causing Muscle Toxicity Antiplatelet agents Autacoids Biological Factors Blood and Blood Forming Organs Cardiovascular Agents Eicosanoids Fatty Acids Fatty Acids, Unsaturated Hematologic Agents Hypotensive Agents Inflammation Mediators Lipids OATP2B1/SLCO2B1 substrates Platelet Aggregation Inhibitors Excl. Heparin Prostacyclin Analogues Prostaglandins Prostaglandins, Synthetic Vasodilating Agents
Cross-references: BindingDB: 23954 ChEBI: 63916 CHEMBL494 ChemSpider: 4470703 PharmGKB: PA164746843 PubChem:5311181 PubChem:46507818 RxCUI: 40138 Therapeutic Targets Database: DAP000273 Wikipedia: Iloprost
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43119 | PTGIR | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |
| P34995 | PTGER1 | Homo sapiens | Human | PF00001 | 8.0 | Ki | BindingDB |
| P43115 | PTGER3 | Homo sapiens | Human | PF00001 | 7.2 | Ki | BindingDB |
| P35408 | PTGER4 | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P43088 | PTGFR | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P34995 | PTGER1 | Prostaglandin E2 receptor EP1 subtype | agonist | targets |
| P43116 | PTGER2 | Prostaglandin E2 receptor EP2 subtype | agonist | targets |
| P43119 | PTGIR | Prostacyclin receptor | agonist | targets |
| Q9Y5Y4 | PTGDR2 | Prostaglandin D2 receptor 2 | agonist | targets |
| P27815 | PDE4A | 3',5'-cyclic-AMP phosphodiesterase 4A | inducer | targets |
| Q07343 | PDE4B | 3',5'-cyclic-AMP phosphodiesterase 4B | inducer | targets |
| Q08493 | PDE4C | 3',5'-cyclic-AMP phosphodiesterase 4C | inducer | targets |
| Q08499 | PDE4D | 3',5'-cyclic-AMP phosphodiesterase 4D | inducer | targets |
| P00750 | PLAT | Tissue-type plasminogen activator | other/unknown | targets |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| Q92959 | SLCO2A1 | Solute carrier organic anion transporter family member 2A1 | substrate | transporters |
| Q9UIG8 | Q9UIG8 | Solute carrier organic anion transporter family member 3A1 | substrate | transporters |