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BAY-850 | Inhibitor of ATAD2
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ATAD2
  • IC50, Kd:22-166 nM (T), 157 nM (A), 115 nM (B), 85 nM (M)
  • pGI50:5.8-5.9
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
The selectivity profile of BAY-850 was initially investigated in the BROMOscan panel, where it hi ...

Potency
Cellular
In Vitro

ATAD2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

Negative Control Compounds

BAY-460

Orthogonal Probes def

GSK8814

Chemical Information

Molecular Formula C38H44ClN5O3
SMILEs COc1cc(Cl)c(C(=O)N[C@@H](CN[C@H]2CC[C@@H](N)CC2)Cc2ccc(C#N)cc2)cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1
InChI InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1
Molecular weight 653.31 Da
AlogP 6.840100000000007
HBond acceptors 8
HBond donors 5
Atoms 91

References

Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

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    Expert Reviews

    by SERP
    (on 26 Jul 2021 )
    Cellular Use Rating
    The discovery of BAY-850 was facilitated by optimisation of hits from a DNA encoded library screen. It shows remarkable specificity for the ATAD2 BD and does not interact with the closely related ATAD2B...
    by SERP
    (on 26 Aug 2021 )
    Cellular Use Rating
    BAY-850 was identified from a DNA Encoded Library screen and optimised to what appears to be a useful ATAD2 probe with impressive selectivity both within the target class and more broadly. Notably,...
    by SERP
    (on 21 Sept 2021 )
    Cellular Use Rating
    It is unclear whether the cytotoxicity observed between 5-10 uM is a result of on-target effects of ATAD2 inhibition. Thus, concentrations, where cell toxicity is observed, should not be the primary...
    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria