Compound Detail
CHEMBL238804
SELEXIPAG 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL238804 |
| Name | SELEXIPAG |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | QXWZQTURMXZVHJ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL239226 |
5
Targets
7
Activities
2
Assay Types
10
PK Parameters
20
Publications
4
Known Names
6
Indications
1
Mechanisms
Molecular Properties
496.6
MW (Da)
3.90
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Prostanoid IP receptor agonist | AGONIST | Prostacyclin receptor | ✓ | ✓ |
Indications
Familial Primary Pulmonary Hypertension Familial Primary Pulmonary Hypertension Hypertension, Pulmonary Hypertension, Pulmonary Pulmonary Arterial Hypertension Thrombosis
ATC Classification
B01AC27
selexipag
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: ANTITHROMBOTIC AGENTS
Activity Summary
IC50 4 meas. best 7.21
EC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | IC50 | 7.21 | 6.2 | 62.0 | 2 |
| Prostaglandin D2 receptor CHEMBL4427 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Prostacyclin receptor CHEMBL3322 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Plasma CHEMBL613652 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| SKP1-SKP2-CKS1 CHEMBL5482973 | IC50 | 4.37 | 4.37 | 42800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 384.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 859.0 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 94.64 | nM | Macaca fascicularis |
| Cmax | 70.48 | nM | Macaca fascicularis |
| T1/2 | 4.9 | hr | Macaca fascicularis |
| T1/2 | 10.7 | hr | Macaca fascicularis |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| Tmax | 6.7 | hr | Macaca fascicularis |
| Tmax | 14.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | EC50 | = | 6.0 | nM | 8.22 | Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells asse... | 28072531 |
| Prostacyclin receptor | IC50 | = | 62.0 | nM | 7.21 | Agonist activity at IP receptor in human primary platelets assessed as inhibitio... | 28072531 |
| Prostaglandin D2 receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at recombinant human DP1 receptor expressed in CHO-K1 cells ass... | 28072531 |
| Prostacyclin receptor | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assess... | 28072531 |
| Plasma | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 17764960 |
| Prostacyclin receptor | IC50 | = | 6400.0 | nM | 5.19 | Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced pl... | 33314936 |
| SKP1-SKP2-CKS1 | IC50 | = | 42800.0 | nM | 4.37 | Inhibition of GST-tagged Skp2/Skp1 (unknown origin)/His6-tagged Cks1 (unknown or... | 37204466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303300 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5303300 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5303300 | U2OS | 304 |
| 17881233 | 10.1016/j.bmc.2007.08.052 | Cynomolgus monkey | 8 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | PC-3 | 7 |
| - | 10.6019/CHEMBL5058564 | U2OS | 7 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | MGC-803 | 7 |
| 28072531 | 10.1021/acs.jmedchem.6b00871 | Prostacyclin receptor | 6 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | Unchecked | 6 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| 17881233 | 10.1016/j.bmc.2007.08.052 | ADMET | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
Data from ChEMBL 36 via Core Engine