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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 (MGC-803); 840 nM (HCT-116); 7130 nM (Bel-7402)
Inhibitor
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

In Vivo Validations

Male Sprague Dawley (SD) rats
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 1.72 h
Systemic clearance: 33.3 mL/min/Kg

Reference: --

Negative Control Compounds

cpd 28a

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 4.2434
HBond acceptors 8
HBond donors 2
Atoms 64

References

Publications

    Cross References

    canSARChEMBLBindingDB

    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...
    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