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UNC100013 | UNC100013 : Covalent Inhibitor of SETDB1
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
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
SMILEs CN(C)C/C=C/C(=O)Nc1ccc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c2c1
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 4.363800000000003
HBond acceptors 9
HBond donors 3
Atoms 88

References

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Cross References

PDB canSAR

Expert Reviews

by SERP+
(on 9 Jul 2026)
Cellular Use Rating
Very well characterised covalent probe that demonstrates excellent selectivity across proteome, strong target engagement and is active in cells however is limited by poor cellular permability.
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