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BI-4916 | BI-4916 : Inhibitor Prodrug of PHGDH
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
PHGDH
  • IC50:3 nM
  • IC50:2200 nM
  • IC50:29 nM
  • IC50:2200 nM
Prodrug
up to 10 uM

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
MDA-MB-468 cell extracts in the presence or absence of 10 μM BI-4924 were used for identification an ...
In Vitro Selectivity Assessment
Selectivity Assessment Description:
CEREP counterscreen panel (4/40 offtargets >50% inhibition @ 10 μM

Potency
Cellular
In Vitro

PHGDH

Mode of Action: Prodrug

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.9b00718

Chemical Information

Molecular Formula C23H24Cl2N2O6S
SMILEs CCOC(=O)CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)c(Cl)c(C)cc3n2C)cc1
InChI InChI=1S/C23H24Cl2N2O6S/c1-4-33-20(29)12-34(31,32)15-7-5-14(6-8-15)17(11-28)26-23(30)19-10-16-18(27(19)3)9-13(2)21(24)22(16)25/h5-10,17,28H,4,11-12H2,1-3H3,(H,26,30)/t17-/m1/s1
Molecular weight 526.07 Da
AlogP 3.593720000000001
HBond acceptors 8
HBond donors 2
Atoms 58

References

Publications

Cross References

canSARChEMBLBindingDB

Expert Reviews

by SERP
(on 12 Feb 2025 )
Cellular Use Rating
BI-4916 is a ethyl ester prodrug of the active (carboxylic acid) component BI-4943, with intracellular ester cleavage demonstrated and accumulation of the active drug component in MDA-MB-468 cells quantified,...
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