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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

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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

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.
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