RLY-2608 |
RLY-2608 : Allosteric Inhibitor of PIK3CA
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PIK3CA (Mutant:WT, H1047R, E542K, E545K) |
|
|
Allosteric
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In vitro kinome profile of RLY-2608. RLY-2608 was tested at a concentration of 10 μM by SelectScreen ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
tested on various cells lines for target engagement and cell proliferation
Potency Cellular
In Vitro
PIK3CA
(Mutant:WT, H1047R, E542K, E545K)
Mode of Action: Allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1158/2159-8290.CD-23-0944
Chemical Information
| Molecular Formula | C29H14ClF5N6O2 |
| SMILEs | N#Cc1c(-c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c3c(c2)C(=O)N[C@H]3c2cc(F)ccc2Cl)ccc2ncnn12 |
| InChI | InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1 |
| Molecular weight | 608.08 Da |
| AlogP | 0.0 |
| HBond acceptors | 8 |
| HBond donors | 2 |
| Atoms | 57 |