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NMS-P715 | Inhibitor of TTK
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
  • IC50:7 nM
  • IC50:160 nM
  • GI50:180 nM
  • IC50:32 nM
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selective against Aur-A, CDK2/A, PLK1

Potency
Cellular
In Vitro

TTK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.bmcl.2011.05.122

In Vivo Validations

Mouse
Dose: 10 mg/Kg
Route of delivery: Intravenous
Plasma half life: 7.65 ± 0.83 h
Systemic clearance: 10.0 ± 0.24 mL/min/kg
Area Under the Curve:: 22.4 ± 0.81 μM h
Volume of Distribution at Steady-State: 5.45 ± 0.55 L/Kg

DOI Reference: 10.1016/j.bmcl.2011.05.122

Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 8.01 ± 1.32 h
Cmax: 0.600 ± 0.150 uM
Area Under the Curve:: 8.66 ± 2.09 μM h
Bioavailability: 37.9%

DOI Reference: 10.1016/j.bmcl.2011.05.122

Chemical Information

Molecular Formula C35H39F3N8O3
SMILEs CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2
InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
Molecular weight 676.31 Da
AlogP 5.819
HBond acceptors 11
HBond donors 3
Atoms 88

Vendors

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Expert Reviews

by SERP
(on 3 Aug 2022 )
Cellular Use Rating
In Model Organisms
This compound inhibits recombinant MPS1 (TTK) with an IC50 of 182 nM. Selectivity (>20-fold) has been demonstrated for 60 kinases in vitro. Growth inhibition of A2780 cells was observed with 1 uM compound....
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