NAPHTHYRIDINONE |
NAPHTHYRIDINONE : Inverse Agonist of CNR1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CNR1 |
|
|
Inverse Agonist
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
CNR2 is on the order of 1000-fold less potent with 4.6 µM.
Shows off-target activity in the GPCR sca ...
Potency Cellular
In Vitro
CNR1
Mode of Action: Inverse Agonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmcl.2005.10.028
In Vivo Validations
Mouse
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
> 8 h
Systemic clearance:
13.9 mL/min/kg
Bioavailability:
70%
DOI Reference: 10.1016/j.bmcl.2005.10.028
Rat
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
> 8 h
Systemic clearance:
12 mL/min/kg
Bioavailability:
93 %
DOI Reference: 10.1016/j.bmcl.2005.10.028
Dog
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
> 24 h
Systemic clearance:
4.4 mL/min/kg
Bioavailability:
100 %
DOI Reference: 10.1016/j.bmcl.2005.10.028
Monkey (Rheus)
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
22 h
Systemic clearance:
1.4 mL/min/kg
Bioavailability:
96 %
DOI Reference: 10.1016/j.bmcl.2005.10.028
Negative Control Compounds
MRL-CB1-NC
Notes: The control shows 33% inverse agonism at 2 µM and is thus >> 100- fold less potent than the probe itself. Note: Shows off-target activity in the GPCR scan: the closest hits are HTR2C (Ki= 22 nM) and SLC6A3 (Ki= 766 nM)
Chemical Information
| Molecular Formula | C25H18Cl3N3O3 |
| SMILEs | CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 |
| InChI | InChI=1S/C25H18Cl3N3O3/c1-12(32)21-23(29-13(2)33)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)34)17-9-8-16(27)10-20(17)28/h4-11H,1-3H3,(H,29,33) |
| Molecular weight | 513.04 Da |
| AlogP | 0.0 |
| HBond acceptors | 6 |
| HBond donors | 1 |
| Atoms | 52 |
References
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