THZ-P1-2 |
THZ-P1-2 : Covalent Inhibitor of PIP4K2A, PIP4K2B, PIP4K2C
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PIP4K2A |
|
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| PIP4K2B |
|
|
| PIP4K2C |
|
|
Covalent Inhibitor
up to 10 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Kinome-wide selectivity of THZ-P1-2 was assessed in the commercially available DiscoverX KINOMEscan ...
Selectivity Assessment Description:
IC50 of 40 nM on PIKfyve in a fixed time point ADP-Glo assay.
The additional potential off-targets i ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
To further assess if THZ-P1-2 biochemical inhibition was maintained in cells, dtb-THZ-P1-2 binding o ...
Potency Cellular
In Vitro
PIP4K2A
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.chembiol.2020.02.003
PIP4K2B
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.chembiol.2020.02.003
PIP4K2C
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.chembiol.2020.02.003
Negative Control Compounds
THZ-P1-2-R
SMILES:
CN(C)CCCC(NC1=CC=C(C=C1)C(NC2=CC=CC(NC3=CC(C4=CNC5=CC=CC=C45)=NC=N3)=C2)=O)=O
Chemical Information
| Molecular Formula | C31H29N7O2 |
| SMILEs | CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1 |
| InChI | InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+ |
| Molecular weight | 531.24 Da |
| AlogP | 5.677100000000004 |
| HBond acceptors | 9 |
| HBond donors | 4 |
| Atoms | 69 |