TP-050 |
TP-050 : Positive allosteric of GRIN2A
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| GRIN2A |
|
Positive allosteric
up to 30 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
Good NMDA-subtype selectivity (Ca2+ influx assay using CHO cells):
GRIN2B EC50 > 30 µM, max potenti ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity outside target family:
SAFETYscan (DiscoverX, 47 targets at 10 µM): 46 target > 10 µM; P ...
Potency Cellular
In Vitro
GRIN2A
Mode of Action: Positive allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmc.2021.116576
In Vivo Validations
Rat
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Systemic clearance:
235 ± 20 mL/h/Kg
Cmax:
1908 ± 204 ng/mL
Area Under the Curve::
9143 ± 2638 ngˑh/mL
Bioavailability:
21.4%
Volume of Distribution at Steady-State:
657 ± 44 mL/Kg
Organ of interest (O):
Brain
Target engagement assay:
TP-050 demonstrated sufficient blood–brain barrier (BBB) permeability in rats with Brain to Plasma ration around 0.5 after 2 h.
DOI Reference: 10.1016/j.bmc.2021.116576
Negative Control Compounds
CANSAR3880517
Notes: TP-050n: EC50 > 30 µM (> 59 -fold); Max. potentiation at 30 µM: 150 % (Ca2+ influx assay using CHO cells)
Chemical Information
| Molecular Formula | C16H15ClF2N6O |
| SMILEs | Cc1cn([C@H](C)CC#N)c(=O)c2cc(Cn3nc(C(F)F)cc3Cl)nn12 |
| InChI | InChI=1S/C16H15ClF2N6O/c1-9(3-4-20)23-7-10(2)25-13(16(23)26)5-11(21-25)8-24-14(17)6-12(22-24)15(18)19/h5-7,9,15H,3,8H2,1-2H3/t9-/m1/s1 |
| Molecular weight | 380.10 Da |
| AlogP | 0.0 |
| HBond acceptors | 7 |
| HBond donors | -- |
| Atoms | 41 |