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UNC100013 | UNC100013 : Covalent Inhibitor of SETDB1
RATINGS:
Cellular Use: (0 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
SETDB1
  • IC50:57 ± 13 nM
  • Ki:60 ± 24 nM
  • ΔTm:7.0 ± 0.1 K
  • IC50:27 ± 5 nM
  • IC50:70 ± 10 nM
  • ΔTm:6.29 K
Covalent Inhibitor
up to 30 uM considering the low cell permeability

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
33 methyltransferases tested for off-target activity of UNC10013 at 10 uM using a radiometric methyl ...
Selectivity Assessment Description:
UNC10013 is selective for the binding of the 3TD of SETDB1 by 30-fold relative to SETD2 inhibition ( ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Cysteine reactivity of 23,149 detected cysteines after treatment of MCF-7 cell lysate with 10 µM of ...

Potency
Cellular
In Vitro

SETDB1

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/s41467-025-57005-3

Negative Control Compounds

UNC11366
Notes: IC50 = 9.0 µM in TR-FRET assay
SMILES: CC(=O)NCCCCCNC1=NC2=C(C=C(C=C2)NC(=O)/C=C/CN(C)C)C(=N1)NCCCCCCN(C)C
UNC11277
Notes: IC50 = 20 µM in TR-FRET assay
SMILES: CN(C)CCCCCCNC1=NC(=NC2=C1C=C(C=C2)NC(=O)/C=C/CN(C)C)NCCCCCOC

Orthogonal Probes def

(R,R)-59

Chemical Information

Molecular Formula C29H50N8O
InChI InChI=1S/C29H50N8O/c1-35(2)20-12-8-7-10-18-30-28-25-23-24(32-27(38)15-14-22-37(5)6)16-17-26(25)33-29(34-28)31-19-11-9-13-21-36(3)4/h14-17,23H,7-13,18-22H2,1-6H3,(H,32,38)(H2,30,31,33,34)/b15-14+
Molecular weight 526.41 Da
AlogP 0.0
HBond acceptors 9
HBond donors 3
Atoms 88

References

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Cross References

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Expert Reviews

No SERP comments found for UNC100013

Probe UNC100013 is in the process of SERP review.

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