BioE-1197 |
BioE-1197 : Inhibitor of PASK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PASK |
|
|
up to 10 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity was assessed against 50 Kinases with a concentration up to 100uM. CK2 was the only kinas ...
Potency Cellular
In Vitro
PASK
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1016/j.celrep.2014.06.006
Negative Control Compounds
BioE-1428
Notes: enantiomer of BioE-1197 ∼100-fold less potent at inhibiting PASK in vitro (IC50 = 870 nM). Less effective at PASK inhibition in cells, with an IC50 of >10 μM.
Chemical Information
| Molecular Formula | C20H18FN3O2 |
| SMILEs | C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 |
| InChI | InChI=1S/C20H18FN3O2/c1-12-3-2-10-24(12)19-18(13-4-7-15(21)8-5-13)22-16-9-6-14(20(25)26)11-17(16)23-19/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)/t12-/m0/s1 |
| Molecular weight | 351.14 Da |
| AlogP | 4.1228000000000025 |
| HBond acceptors | 5 |
| HBond donors | 1 |
| Atoms | 44 |