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MBM-55 | Inhibitor of NEK2
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
NEK2
  • IC50:1 nM
  • IC50 :530 nM
  • IC50:840 nM
  • IC50:7130 nM
up to 200 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - RSK1 5.4 nM, DYRK1 6.5 nM

Potency Assay Off-Target:
HTRF® KinEASE™-STK (Cisbio Assays)
Selectivity Assessment Description:
Selectivity against a panel of 11 kinases (IC50 nM): AurA 5300, AKT1 608, ABL 20, RSK1 5.4, DYRK1 ...

Potency
Cellular
In Vitro

NEK2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1016/j.ejmech.2016.12.026

In Vivo Validations

Rat
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 1.72 h
Systemic clearance: 33.3 mL/min/Kg

Reference: --

Chemical Information

Molecular Formula C28H27FN6O2
SMILEs CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5cccc(F)c5)c4)cnc3c2)cn1
InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
Molecular weight 498.22 Da
AlogP 4.243400000000003
HBond acceptors 8
HBond donors 2
Atoms 64

Vendors

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Expert Reviews

by SERP
(on 8 Dec 2020)
Cellular Use Rating
In Model Organisms
Additional validation is required to determine whether MBM-55 engages NEK2 in cells. The cell-based data is simply antiproliferative data and the compound does not elicit significant potency in these...
by SERP
(on 10 Apr 2021)
Cellular Use Rating
In Model Organisms
Missing connecting PK data weakens the strength of recommendation. The PK was done i.v in rat at 1mg/kg, but the model in mouse i.p. at 20mg/kg so mouse exposure is not clear. However, the biggest issue...
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