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M-808 | Covalent Inhibitor of MEN1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
MEN1
  • IC50:2.6 nM
  • IC50:1 nM in MV4;11; 4 nM in MOLM-13
Covalent Inhibitor
10-40 nM

Selectivity

Potency
Cellular
In Vitro

MEN1

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

In Vivo Validations

female C.B-17 SCID mice
Dose: 10 mg/Kg (not effective), 25 mg/Kg
Route of delivery: Intravenous

Reference: --

Chemical Information

Molecular Formula C45H63FN6O5S
SMILEs COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CN(C(=O)/C=C/CN5CCCCC5)C4)cc3)C2)CC1
InChI InChI=1S/C45H63FN6O5S/c1-57-44(54)47-42-12-6-11-41(42)45(33-50-23-8-24-50,36-9-5-10-37(46)27-36)35-18-25-49(26-19-35)28-34-29-51(30-34)38-14-16-39(17-15-38)58(55,56)40-31-52(32-40)43(53)13-7-22-48-20-3-2-4-21-48/h5,7,9-10,13-17,27,34-35,40-42H,2-4,6,8,11-12,18-26,28-33H2,1H3,(H,47,54)/b13-7+/t41-,42-,45-/m0/s1
Molecular weight 818.46 Da
AlogP 5.168900000000005
HBond acceptors 11
HBond donors 1
Atoms 121

References

Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

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    Expert Reviews

    by SERP
    (on 7 Jul 2020 )
    Cellular Use Rating
    In Model Organisms
    M-808 covalently reacts with C329 of Menin via its acrylamide moiety and thereby inhibits the Menin-MLL protein-protein interaction. It is a very potent and efficacious inhibitor in vitro and in cells. M-808...
    by SERP
    (on 11 Jul 2020 )
    Cellular Use Rating
    In Model Organisms
    Antiproliferative activity described at 2.8 µM for HL60 cells which do not carry a MLL fusion and therefore likely reflects off-target mediated effects. Therefore the probe should not be used at concentrations...
    by SERP
    (on 24 Sept 2020 )
    Cellular Use Rating
    In Model Organisms
    This compound may have clinical utility against MLLr leukemia. In contrast, more validation, in particular off-target effects of this compound, is needed before presenting this compound as a chemical...
    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