BI-0319 |
BI-0319 : Degrader (PROTAC) of PTK2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PTK2 |
|
|
Degrader (PROTAC)
up to 1 uM, hook effect in the A549 cells at 25 μM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In a 397 kinase kinase panel BI-0319 beside PTK2 only inhibited LRRK2 and FES by more than 50% at 1 ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Multiplexed isobaric tagging mass spectrometry was employed to assess the cellular selectivity of BI ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
BI-0319 degradation of PTK2 was assessed in a panel of 11 HCC cell lines.
Potency Cellular
In Vitro
PTK2
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.8b01826
Negative Control Compounds
canSAR3553056
Notes: cisVHL, BI-4206 is the (S) hydroxy diastereoisomer of BI-0319 and serves as a negative control for BI-0319. While exhibiting BI-0319 comparable PTK2 binding affinity it no longer is able to bind and recruit VCB and therefore is not degrading PTK2 proteins in cells.
Chemical Information
| Molecular Formula | C52H59F3N8O11S |
| SMILEs | COc1cc(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 |
| InChI | InChI=1S/C52H59F3N8O11S/c1-30-44(75-29-59-30)33-11-9-31(10-12-33)25-57-47(68)38-24-35(64)27-63(38)49(69)45(51(2,3)4)61-42(66)28-73-22-21-72-20-19-71-18-17-56-46(67)34-13-15-37(41(23-34)70-5)60-50-58-26-36(52(53,54)55)48(62-50)74-40-8-6-7-32-14-16-39(65)43(32)40/h6-13,15,23,26,29,35,38,45,64H,14,16-22,24-25,27-28H2,1-5H3,(H,56,67)(H,57,68)(H,61,66)(H,58,60,62)/t35-,38+,45-/m1/s1 |
| Molecular weight | 1060.40 Da |
| AlogP | 6.189420000000009 |
| HBond acceptors | 19 |
| HBond donors | 5 |
| Atoms | 134 |