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Empesertib | Empesertib : Inhibitor of TTK
RATINGS:
Cellular Use: (0 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
TTK
  • IC50:1.7 nM
  • IC50:53 nM
  • IC50:260 nM
Inhibitor
100 nM

Selectivity

In Vitro Selectivity Assessment

Potency: % inh. - JNK2 54% @ 1 uM, JNK3 84% @ 1 uM

Selectivity Assessment Description:
Empesertib only inhibits two kinases, JNK2 and JNK3, more than 50% at a concentration of 1 μmol/L ...

Potency
Cellular
In Vitro

TTK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.9b02035

In Vivo Validations

Mouse, Rat, Dog
Dose: 0.5, 1, 2 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 4.9 (M), 14 59 (M), (R), 6.3 (D) h IV
Systemic clearance: 0.69 (M), 0.19 (R), 1.4 (D) L/h/Kg IV

DOI Reference: 10.1021/acs.jmedchem.9b02035

Orthogonal Probes def

CFI-402257
BAY-1217389

Chemical Information

Molecular Formula C29H26FN5O4S
SMILEs COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1
InChI InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
Molecular weight 559.17 Da
AlogP 5.4333
HBond acceptors 9
HBond donors 2
Atoms 66

Vendors

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Expert Reviews

No SERP comments found for Empesertib

Probe Empesertib is in the process of SERP review.

Please continue to check back for new reviews and commentary.