GS-444217 |
GS-444217 : ATP-competitive inhibitor of MAP3K5
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MAP3K5 |
|
>300 nM to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity of GS-444217 (1 μM) for ASK1 was determined using KINOMEscan binding assay against 442 k ...
Selectivity Assessment Description:
GS-444217 demonstrated high selectivity for binding to ASK1 versus the other kinases in the panel. T ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
The activity of GS-444217 was evaluated using the BioMAP Diversity PLUS panel up to 10 uM
Selectivity Assessment Description:
At a concentration of 1 μM, a dose that suppresses ASK1 and p38 activation in HEK293T cells, the onl ...
Potency Cellular
In Vitro
MAP3K5
Mode of Action: ATP-competitive inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1172/JCI99768
In Vivo Validations
Rat
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.07 ± 0.05 h
Cmax:
25,234 ± 6,462 nM
Area Under the Curve::
100,207 ± 35,996 nM·hr
Bioavailability:
89.6%
DOI Reference: 10.1172/JCI99768
Dose: 30 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.84 ± 0.98 h
Cmax:
65,546 ± 10,239 nM
Area Under the Curve::
365,622 ± 45,458 nM·hr
Bioavailability:
109%
DOI Reference: 10.1172/JCI99768
Chemical Information
| Molecular Formula | C23H23N7O |
| SMILEs | CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1 |
| InChI | InChI=1S/C23H23N7O/c1-15(2)30-14-26-28-22(30)17-4-3-5-18(10-17)27-23(31)20-11-19(8-9-24-20)29-12-21(25-13-29)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,31) |
| Molecular weight | 413.20 Da |
| AlogP | 4.236400000000002 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 54 |