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ZINC4511851 | ZINC4511851 : Inhibitor of DCTPP1
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
DCTPP1
  • IC50:20 nM
  • ΔTm:10
  • ΔTm:10.7 K
up to 5 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity profile for ZINC4511851 toward a small set of NTPases and NUDIX enzymes was assessed.

Potency
Cellular
In Vitro

DCTPP1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.6b01786

Chemical Information

Molecular Formula C15H12N4O2S2
SMILEs COc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1OC
InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
Molecular weight 344.04 Da
AlogP 3.5985000000000023
HBond acceptors 6
HBond donors --
Atoms 35

References

Publications

Cross References

ChEMBL BindingDB PubChem canSAR

Expert Reviews

by SERP
(on 10 Mar 2025)
Cellular Use Rating
The probe has been well-characterized in biochemical assays and has the highest potency reported to date for this target. However, further validation of target engagement in cells would be needed and a...
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