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AGI-6780 | AGI-6780 : Allosteric inhibitor of IDH2
RATINGS:
Cellular Use: (3 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
IDH2 (Mutant:R140Q)
  • IC 50:23 nM R140Q
  • IC 50:11 nM
Allosteric
up to 5 uM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - IDH2 (WT): 190 nM, IDH1-R132H: 11,000 nM

Potency Assay Off-Target:
In in vitro enzyme assays, IC50s>100,000 nM were measured for IDH1 (WT), LDHA, 3PGDH, GDH, and G6PDH ...
In Cell Selectivity Assessment

Potency: EC50 - IDH1-R132H: >100,000 nM

Potency Assay Off-Target:
In U87 cells expressing the mutant protein, AGI-6780 was not very effective at decreasing 2HG levels ...

Potency
Cellular
In Vitro

IDH2 (Mutant:R140Q)

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1126/science.1234769

Chemical Information

Molecular Formula C21H18F3N3O3S2
SMILEs O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1
InChI InChI=1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)
Molecular weight 481.07 Da
AlogP 0.0
HBond acceptors 6
HBond donors 3
Atoms 50

References

Publications

Cross References

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Vendors

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Expert Reviews

by SERP
(on 28 Mar 2017 )
Cellular Use Rating
AGI-6780 currently represents the most appropriate probe molecule for the target; at the present time, the only literature (aside from the quoted 2013 Science paper) disclosing small-molecule inhibitors...
by SERP
(on 31 Mar 2017 )
Cellular Use Rating
In Model Organisms
I would be very cautious with the interpretation of cellular data generated with this compound. It is a urea with three aromatic elements and no real solubilizing group. While I have no solubility data...
by SERP
(on 9 Apr 2017 )
Cellular Use Rating
( The reviewer did not leave any comments )
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