XMU-MP-2 |
XMU-MP-2 : Inhibitor of BRK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PTK6 |
|
|
Inhibitor
up to 1 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
XMU-MP-2 exhibited the best activity among 28 tyrosine kinases profiled, suggesting XMU-MP-2 is a po ...
Potency Cellular
In Vitro
PTK6
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/0008-5472.CAN-16-1038
In Vivo Validations
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.9 h
Systemic clearance:
39.1 mL/min/kg
Volume of Distribution at Steady-State:
1.7 L/kg
DOI Reference: 10.1158/0008-5472.CAN-16-1038
Negative Control Compounds
canSAR1285572
Notes: Compounds 4f shows a biochemical IC50 of 3.2 nM but is not able to inhibit BRK phosphoritation in cells.
Chemical Information
| Molecular Formula | C32H33F3N8O2 |
| SMILEs | Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3ccc(N4CCC(O)CC4)nc3)nc2N(C)C1 |
| InChI | InChI=1S/C32H33F3N8O2/c1-20-6-7-24(38-30(45)21-4-3-5-23(14-21)32(33,34)35)15-27(20)43-18-22-16-37-31(40-29(22)41(2)19-43)39-25-8-9-28(36-17-25)42-12-10-26(44)11-13-42/h3-9,14-17,26,44H,10-13,18-19H2,1-2H3,(H,38,45)(H,37,39,40) |
| Molecular weight | 618.27 Da |
| AlogP | 5.5697200000000056 |
| HBond acceptors | 10 |
| HBond donors | 3 |
| Atoms | 78 |