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AGI-5198 | Inhibitor of IDH1 (Mutant:R132H)
RATINGS:
Cellular Use: (3 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
IDH1 (Mutant:R132H)
  • IC50:70 nM R132H
Inhibitor
--

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - wild-type IDH1 >100 uM, IDH2 isoforms >100 uM

Potency Assay Off-Target:
NADPH consumption

Potency
Cellular
In Vitro

IDH1 (Mutant:R132H)

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1126/science.1236062

In Vivo Validations

Mouse
Dose: 150 mg/kg, 450 mg/kg
Route of delivery: Oral
Organ of interest (O): xenograft
Target engagement assay: Indirect: quantification of R-2HG

Reference: --

Orthogonal Probes def

GSK864

Chemical Information

Molecular Formula C27H31FN4O2
SMILEs Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1
InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
Molecular weight 462.24 Da
AlogP 0.0
HBond acceptors 6
HBond donors 1
Atoms 65

References

Publications

Cross References

canSARChEMBLBindingDBGDSC2

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 20 May 2016 )
Cellular Use Rating
AGI-5168 was the prototypical IDH-1 R132H inhibitor but in time has been surpassed in potency and characterization by the later compound GSK864, which also offers an inactive control for proof of target...
by SERP
(on 18 Aug 2016 )
Cellular Use Rating
In Model Organisms
AGI-5198 is a potent, selective inhibitor of IDH1 R132H and R132C mutants [in vitro IC50 R132H IDH1 = 0.07 µM and IC50 R132C IDH1 = 0.16 µM, respectively]. The compound is totally selective against...
by SERP
(on 11 Apr 2017 )
Cellular Use Rating
In Model Organisms
AGI-5198 has been superseded in biochemical and cellular potency by GSK864 and is recommended mainly for use as a mutant IDH1 inhibitor from a distinct chemical class for confirmatory studies in cells....
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