Compound name
GSK864
Protein family
Dehydrogenase
Target name
IDH1(R132C)
Affinity biochemical (nM)
8.8
Affinity on-target cellular (nM)
320
CG-Set
Other targets set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000225b
SMILES
COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@]3(C)C(N)=O)cc1C
InChIKey
DUCNNEYLFOQFSW-PMERELPUSA-N
Mode of action
Inhibitor
Negative control
GSK990
Affinity biochemical definition
IC50
Affinity biochemical assay type
Biochemical assay (NADPH oxidation)
Affinity Biochemical Source Knowledge
https://www.nature.com/articles/nchembio.1930
Affinity biochemical relation
=
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
RapidFire-MS/MS (inhibition of 2-HG production in R132C IDH1 mutant HT-1080 fibrocarcoma cells)
Affinity on-target cellular source knowledge
https://www.nature.com/articles/nchembio.1930
Affinity on-target cellular relation
=
Selectivity platform
Panel of kinases, 7TMs, ion channels and transporters, literature
Selectivity platform number of targets
>30
Selectivity remarks
In-vitro potencies of related targets: IC50(IDH1,WT) = 466.5 nM, IDH2 IC50(IDH2,WT) = 1360 nM, IC50(IDH2,R140Q) = 1916 nM, IC50(IDH2,R172S) = 997 nM; Selective in vitro for IDH1 over other classes of proteins (7TMs, ion channels, kinases)
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/26436839/
Selectivity Number of Off-targets
0