VU6053371 |
VU6053371 : Positive Allosteric of GRM3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| GRM3 |
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within targer family: selective versus the other mGlu receptors (EC50 > 10 μM) including ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In Eurofin SafetyScreen 44, the most significant displacement of radioligands was at the human dopam ...
Selectivity Assessment Description:
Follow-up radioligand binding assays for DAT produced a binding IC50 of 7.5 μM and a Ki of 6.0 μM (a ...
Potency Cellular
In Vitro
GRM3
Mode of Action: Positive Allosteric
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acschemneuro.6c00325
In Vivo Validations
Rat
Dose:
Route of delivery:
Intravenous
Plasma half life:
2.6 h
Systemic clearance:
10 mL/min/kg
Volume of Distribution at Steady-State:
1.6 L/kg
DOI Reference: 10.1021/acschemneuro.6c00325
Dose:
Route of delivery:
Oral
Cmax:
2.75 μM
Tmax:
1 h
Bioavailability:
82%
DOI Reference: 10.1021/acschemneuro.6c00325
Orthogonal Probes def
VU6052959
SMILES:
CN1C2=CC=C(C=C2OC[C@@H]1C3=CC(=CC=C3)F)NC(=O)C4=NC=CC=N4
Chemical Information
| Molecular Formula | C19H19FN4O2S |
| SMILEs | Cc1sc(Nc2cnc(C(C)(C)O)nc2)c(C(N)=O)c1-c1cccc(F)c1 |
| InChI | InChI=1S/C19H19FN4O2S/c1-10-14(11-5-4-6-12(20)7-11)15(16(21)25)17(27-10)24-13-8-22-18(23-9-13)19(2,3)26/h4-9,24,26H,1-3H3,(H2,21,25) |
| Molecular weight | 386.12 Da |
| AlogP | 3.722520000000001 |
| HBond acceptors | 6 |
| HBond donors | 4 |
| Atoms | 46 |