DS-1558 |
DS-1558 : Agonist of FFAR1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| FFAR1 |
|
Agonist
--
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
No PPARgamma agonistic activity up to 100µM (https://pubs.acs.org/doi/10.1021/ml500391n). No activit ...
Potency Cellular
In Vitro
FFAR1
Mode of Action: Agonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/ml500391n
In Vivo Validations
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
6 h
Systemic clearance:
0.020 L/h/kg
Volume of Distribution at Steady-State:
0.19 L/kg
DOI Reference: 10.1021/ml500391n
Dose: 1 mg/Kg
Route of delivery:
Oral
Cmax:
3.1 μg/mL
Area Under the Curve::
40 μg*h/mL
Bioavailability:
80 %
DOI Reference: 10.1021/ml500391n
Dog
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4 h
Area Under the Curve::
0.042 L/h/kg
Volume of Distribution at Steady-State:
0.23 L/kg
DOI Reference: 10.1021/ml500391n
Dose: 1 mg/Kg
Route of delivery:
Oral
Cmax:
1.7 μg/mL
Area Under the Curve::
14 μg*h/mL
Bioavailability:
66 %
DOI Reference: 10.1021/ml500391n
Monkey (Cynomolgus)
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
17 h
Systemic clearance:
0.032 L/h/kg
Volume of Distribution at Steady-State:
0.62 L/kg
DOI Reference: 10.1021/ml500391n
Dose: 1 mg/Kg
Route of delivery:
Oral
Systemic clearance:
30 μg*h/mL
Cmax:
2.3 μg/mL
Bioavailability:
100 %
DOI Reference: 10.1021/ml500391n
Chemical Information
| Molecular Formula | C21H21F3O4 |
| SMILEs | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19+/m1/s1 |
| Molecular weight | 394.14 Da |
| AlogP | 5.324000000000004 |
| HBond acceptors | 4 |
| HBond donors | 1 |
| Atoms | 49 |