GSK2033 |
GSK2033 : Antagonist, Inverse Agonist, mix Agonist/Antagonist in vivo of NR1H2 and NR1H3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NR1H2 |
|
|
| NR1H3 |
|
|
Antagonist, Inverse Agonist, mix Agonist/Antagonist in vivo
>100 nM
Selectivity
In Cell Selectivity Assessment
Selectivity Assessment Description:
GSK2033 was inactive (XC50 > 10 μM) in cellular and biochemical NR assays, including PXR, LRH-1, ...
Potency Cellular
In Vitro
NR1H2
Mode of Action: Antagonist, Inverse Agonist, mix Agonist/Antagonist in vivo
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm901797p
NR1H3
Mode of Action: Antagonist, Inverse Agonist, mix Agonist/Antagonist in vivo
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm901797p
In Vivo Validations
Mouse
Dose: 30 mg/Kg, 40 mg/Kg, 50 mg/Kg
Route of delivery:
Intraperitoneal
Plasma half life:
8 h
Systemic clearance:
Clint > 1.0 mL/min/mg pro
Organ of interest (O):
Liver
Target engagement assay:
Gal4-LBD cotransfection assay: GSK2033 activated several nuclear receptors including RORγ, FXR, VDR, PXR, CAR, ERα, ERβ, GR, ERRβ, and ERRγ while suppressing the activity of ERRα and PR.
DOI Reference: 10.1021/jm901797p
Chemical Information
| Molecular Formula | C29H28F3NO5S2 |
| SMILEs | Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1 |
| InChI | InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3 |
| Molecular weight | 591.14 Da |
| AlogP | 6.68526 |
| HBond acceptors | 6 |
| HBond donors | -- |
| Atoms | 68 |
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