AK120413 |
Agonist of BRS3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| BRS3 |
|
|
Agonist
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
∼1000-fold selectivity over hNMBR and hGRPR, the two most closely related GPCR
Potency Cellular
In Vitro
BRS3
Mode of Action: Agonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmcl.2010.02.076
In Vivo Validations
Mouse
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.89 h
Systemic clearance:
99.4 mL/min/kg
Area Under the Curve::
1.04 µM·hr
Volume of Distribution at Steady-State:
3.68 L/Kg
DOI Reference: 10.1016/j.cmet.2009.12.008
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
0.48 h
Cmax:
0.18 µM
Tmax:
0.50 h
Area Under the Curve::
0.17 µM·hr
Bioavailability:
3 %
DOI Reference: 10.1016/j.cmet.2009.12.008
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
5.69 h
Systemic clearance:
18.9 mL/min/kg
Area Under the Curve::
2.79 µM·hr
Volume of Distribution at Steady-State:
3.12 L/Kg
DOI Reference: 10.1016/j.cmet.2009.12.008
Dose: 4 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.42 h
Cmax:
1.37 µM
Tmax:
0.25 h
Area Under the Curve::
2.32 µM·hr
Bioavailability:
21%
DOI Reference: 10.1016/j.cmet.2009.12.008
Chemical Information
| Molecular Formula | C22H27N3 |
| SMILEs | CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccn3)cc2)n1 |
| InChI | InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) |
| Molecular weight | 333.22 Da |
| AlogP | 5.235600000000004 |
| HBond acceptors | 3 |
| HBond donors | 1 |
| Atoms | 52 |