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BAY1217389 | Inhibitor of TTK
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 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
TTK
  • IC50:0.7 nM (10 uM ATP); 1 nM (2 mM ATP)
  • IC50:0.25 nM (S); 7.6 nM (H); 12 nM (K)
Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - PDGFRβ <10 nmol/L

Selectivity Assessment Description:
BAY 1217389 was tested against the DiscoveRx kinase panel (395 kinases) and was found to bind to ...

Potency
Cellular
In Vitro

TTK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

In Vivo Validations

Mouse, Rat, Dog
Dose: 0.5, 1, 2, 4, 8 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 4.1 (M), 7.8 (R), 13 (D) h IV
Systemic clearance: 0.82 (M), 0.54 (R), 0.44 (D) L/h/Kg IV

Reference: --

Orthogonal Probes def

CFI-402257
Empesertib

Chemical Information

Molecular Formula C27H24F5N5O3
SMILEs COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
InChI InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)
Molecular weight 561.18 Da
AlogP 6.040320000000004
HBond acceptors 8
HBond donors 2
Atoms 64

References

Publications

    Cross References

    canSARChEMBLBindingDBPDBPubMedPubMed

    Vendors

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    Expert Reviews

    by SERP
    (on 19 Mar 2021 )
    Cellular Use Rating
    In Model Organisms
    While this compound is highly active at nanomolar concentrations in cells, more information is needed to establish a suitable in vivo dose.
    by SERP
    (on 14 Apr 2021 )
    Cellular Use Rating
    In Model Organisms
    I recommend to confirm/disprove biochemical off targets ie PDGFR, KIT and possibly CLK1, CLK2, CLK4, JNK1, JNK2, JNK3, LATS1, MAK, MAPKAP2.
    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