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TX1-85-1 | Covalent Inhibitor of ERBB3
RATINGS:
Cellular Use: (3 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
ERBB3
  • IC50:23 nM
  • EC50:10 uM
Covalent Inhibitor
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Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
KiNativ assay reveals likely off-target activity against LYN, HER2, and other SRC family kinases.

Potency
Cellular
In Vitro

ERBB3

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

Chemical Information

Molecular Formula C32H36N8O3
SMILEs C=CC(=O)Nc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1Oc1ccccc1
InChI InChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)
Molecular weight 580.29 Da
AlogP 4.640100000000003
HBond acceptors 11
HBond donors 3
Atoms 79

References

Publications

    Cross References

    canSARChEMBLBindingDB

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    Expert Reviews

    by SERP
    (on 12 Jun 2016 )
    Cellular Use Rating
    ( The reviewer did not leave any comments )
    by SERP
    (on 17 Jun 2016 )
    Cellular Use Rating
    This compound led to significant milestones relating to the role of HER3 in proliferation; however, it is a biochemical tool for covalent modification of its target. Despite successful target engagement...
    by SERP
    (on 21 Jun 2016 )
    Cellular Use Rating
    This work develops covalent inhibitor of HER3 receptor pseudokinase, which mediates resistance to EGFR inhibitors. The covalent inhibitor targets Cys721 of HER3 and shows time- and dose-dependent inhibition...
    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria