VPS34-IN-4 |
VPS34-IN-4 : Inhibitor of PIK3C3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PIK3C3 |
|
|
Inhibitor
1uM
Selectivity
In Vitro Selectivity Assessment
MAP3K7
Gene ID: O43318
Organism: Homo sapiens
Family: STE Ser/Thr protein kinase family
Potency: Activity - 150nM
Selectivity Assessment Description:
Selective over other lipid and protein kinases (>100-fold against >280 kinases evaluated, except TAK ...
Potency Cellular
In Vitro
PIK3C3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acsmedchemlett.5b00335
In Vivo Validations
Mouse
Dose: 10mg/kg
Route of delivery:
Oral
Plasma half life:
1.2h
Systemic clearance:
30 mL/min/kg
Cmax:
3000nM
Tmax:
0.7h
Area Under the Curve::
6725 nM.h
Bioavailability:
47%
Volume of Distribution at Steady-State:
1.5 L/kg
Target engagement assay:
C57BL/6 mouse. No free compound levels are provided, but a dose of 50 mg/kg gives a phenotypic effect. At time of writing this appears to be the best available published Vps34 probe for in vivo use
DOI Reference: 10.1021/acsmedchemlett.5b00335
Chemical Information
| Molecular Formula | C21H25N7O |
| SMILEs | CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1 |
| InChI | InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27) |
| Molecular weight | 391.21 Da |
| AlogP | 3.2075000000000014 |
| HBond acceptors | 8 |
| HBond donors | 3 |
| Atoms | 54 |