Compound Detail
CHEMBL3301604
RALINEPAG 🧪 Phase III
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL3301604 |
| Name | RALINEPAG |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | NPDKXVKJRHPDQT-IYARVYRRSA-N |
9
Targets
15
Activities
3
Assay Types
30
PK Parameters
20
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
431.9
MW (Da)
5.52
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Prostanoid IP receptor agonist | AGONIST | Prostacyclin receptor | ✓ | ✓ |
Indications
Hypertension, Pulmonary
Activity Summary
Ki 9 meas. best 8.92
EC50 4 meas. best 8.57
IC50 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.92 | 7.755 | 1.2 | 2 |
| Prostacyclin receptor CHEMBL1995 | EC50 | 8.57 | 8.32 | 2.7 | 2 |
| Prostacyclin receptor CHEMBL1995 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| Prostacyclin receptor CHEMBL1995 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Prostacyclin receptor CHEMBL3322 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 6.84 | 6.84 | 143.0 | 1 |
| Prostacyclin receptor CHEMBL3322 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 6.17 | 6.17 | 678.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | EC50 | 6.07 | 6.07 | 850.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 5.02 | 5.02 | 9600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 14.6 | ug.hr/kg | Rattus norvegicus |
| AUC | 2760.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1050.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 145.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 11500.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 719.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 9750.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 161.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 2900.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 5090.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 7.117 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.48 | mL.min-1.kg-1 | Mus musculus |
| CL | 3.367 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 14.68 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 8566.4 | nM | Rattus norvegicus |
| Cmax | 11437.3 | nM | Mus musculus |
| Cmax | 757.08 | nM | Canis lupus familiaris |
| Cmax | 7964.44 | nM | Canis lupus familiaris |
| Cmax | 28.01 | nM | Macaca fascicularis |
| Cmax | 214.85 | nM | Macaca fascicularis |
| F | 57.0 | % | Rattus norvegicus |
| F | 83.4 | % | Mus musculus |
| F | 68.4 | % | Canis lupus familiaris |
| F | 92.9 | % | Canis lupus familiaris |
| F | 98.7 | % | Macaca fascicularis |
| F | 100.0 | % | Macaca fascicularis |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 6.7 | hr | Rattus norvegicus |
| T1/2 | 5.59 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine