VU6052959 |
VU6052959 : Positive Allosteric of GRM3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
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| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| GRM3 |
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family: inactive (EC50 > 30 μM) at both human and rat mGlu2, mGlu1, and mG ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Eurofins Lead Profiling Screen performed at 10 μM concentration of VU6052959: displacement of radiol ...
Potency Cellular
In Vitro
GRM3
Mode of Action: Positive Allosteric
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acsmedchemlett.6c00318
In Vivo Validations
Rat
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.8 h
Systemic clearance:
19.8 mL/min/Kg
Bioavailability:
60%
Volume of Distribution at Steady-State:
1.1 L/Kg
DOI Reference: 10.1021/acsmedchemlett.6c00318
Negative Control Compounds
cpd 9
Notes: Enantiomer showing human mGlu3 EC50 2.5uM
SMILES:
CN1C2=CC=C(C=C2OC[C@H]1C3=CC(=CC=C3)F)NC(=O)C4=NC=CC=N4
Orthogonal Probes def
VU6053371
SMILES:
CC1=C(C2=CC=CC(=C2)F)C(=C(NC3=CN=C(C(C)(C)O)N=C3)S1)C(=O)N
Chemical Information
| Molecular Formula | C20H17FN4O2 |
| SMILEs | CN1c2ccc(NC(=O)c3ncccn3)cc2OC[C@@H]1c1cccc(F)c1 |
| InChI | InChI=1S/C20H17FN4O2/c1-25-16-7-6-15(24-20(26)19-22-8-3-9-23-19)11-18(16)27-12-17(25)13-4-2-5-14(21)10-13/h2-11,17H,12H2,1H3,(H,24,26)/t17-/m1/s1 |
| Molecular weight | 364.13 Da |
| AlogP | 3.4379000000000017 |
| HBond acceptors | 6 |
| HBond donors | 1 |
| Atoms | 44 |