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SGC0946 | Inhibitor of DOT1L
RATINGS:
Cellular Use: (4 reviews)

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

Targets Biochemical/Biophysical Potency Cellular Potency
DOT1L
  • KD:0.06 nM
  • IC50:8.8 nM
Inhibitor
100 nM - 5 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Inactive against 12 protein methyltransferases and DNMT1
Selectivity Assessment Description:
No notable activity against 29 receptors from the Ricerca selectivity panel

Potency
Cellular
In Vitro

DOT1L

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

Negative Control Compounds

SGC0649

Orthogonal Probes def

EPZ-5676
EPZ-004777

Chemical Information

Molecular Formula C28H40BrN7O4
SMILEs CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O
InChI InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1
Molecular weight 617.23 Da
AlogP 3.6149
HBond acceptors 11
HBond donors 6
Atoms 80

References

Publications

    Cross References

    canSARChEMBLBindingDBPDBe (Protein Data Bank Europe)GDSC1

    Vendors

    Note: This is not an exhaustive list and does not indicate endorsement by the portal.

    Expert Reviews

    by SERP
    (on 17 May 2016 )
    Cellular Use Rating
    The inactive control SGC-0649 should only be used but at relatively low concentrations as it still retains some DOT1L activity (IC50 = 390 nM).
    by SERP
    (on 6 Jun 2016 )
    Cellular Use Rating
    SGC0649 is now available as a control compound. It is the 4-t-butylphenylamide as opposed to the urea in SGC0946
    by SERP
    (on 10 Jun 2016 )
    Cellular Use Rating
    This compound shows single digit nanomolar potency in cellular assays measuring reduction of H3K79me2. Downstream effects appear to require a higher concentration (1 - 5 micromolar). While concerns...
    by SERP
    (on 20 Jun 2016 )
    Cellular Use Rating
    ...
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