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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
  • IC50:4 nM
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

Mouse
Dose: 10 mg/Kg (not effective), 25 mg/Kg
Route of delivery: Intravenous

DOI Reference: 10.1021/acs.jmedchem.0c00547

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

ChEMBL BindingDB PubChem canSAR

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