Selexipag |
Selexipag : Agonist of PTGIR
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PTGIR |
|
|
Agonist
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Compound 12b binds other prostanoid receptors with at least 130-fold lower affinity.
Potency Cellular
In Vitro
PTGIR
Mode of Action: Agonist
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.5b00698
In Vivo Validations
Rat
Dose: 3 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4.9 ± 1.4 h
Area Under the Curve::
5.2 ± 0.7 ug*h/mL
DOI Reference: 10.1021/acs.jmedchem.5b00698
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
3.6 ± 0.7 h
Cmax:
1.9 ± 0.5 ug/mL
Tmax:
0.8 ± 0.3 h
Area Under the Curve::
17.7 ± 1.9 μg·h/mL
Bioavailability:
102%
DOI Reference: 10.1021/acs.jmedchem.5b00698
Dog
Dose: 1 mg/kg
Route of delivery:
Intravenous
Plasma half life:
5.9 ± 0.2 h
Area Under the Curve::
72.5 ± 9.1 ug*h/mL
DOI Reference: 10.1021/acs.jmedchem.5b00698
Dose: 3 mg/Kg
Route of delivery:
Oral
Plasma half life:
6.2 ± 1.0 h
Cmax:
14.9 ± 3.6 ug/mL
Tmax:
0.8 ± 0.4 h
Area Under the Curve::
176 ± 41 ug*h/mL
Bioavailability:
80%
DOI Reference: 10.1021/acs.jmedchem.5b00698
Monkey (Cynomolgus)
Dose: 1 mg/Kg
Route of delivery:
Oral
Plasma half life:
5.6 ± 1.5 h
Cmax:
0.11 ± 0.04 ug/mL
Tmax:
2.3 ± 1.5 h
Area Under the Curve::
0.65 ± 0.12 ug*h/mL
DOI Reference: 10.1021/acs.jmedchem.5b00698
Chemical Information
| Molecular Formula | C25H29N3O3 |
| InChI | InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30) |
| Molecular weight | 419.22 Da |
| AlogP | 0.0 |
| HBond acceptors | 6 |
| HBond donors | 1 |
| Atoms | 60 |