Molecule Details
| InChIKey | NPDKXVKJRHPDQT-IYARVYRRSA-N |
|---|---|
| Canonical SMILES | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12462 |
|---|---|
| Drug Name | Ralinepag |
| CAS Number | 1187856-49-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ralinepag has been used in trials studying the treatment of Pulmonary Arterial Hypertension. |
Categories: Acids, Acyclic Fatty Acids Fatty Acids, Volatile Lipids
Cross-references: BindingDB: 50235385 CHEMBL3301604 ChemSpider: 32056949 PubChem:44219292 PubChem:347828701
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43119 | PTGIR | Homo sapiens | Human | PF00001 | 8.0 | IC50 | ChEMBL;BindingDB |
| P43115 | PTGER3 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P43116 | PTGER2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P35408 | PTGER4 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P43119 | PTGIR | Prostacyclin receptor | agonist | targets |