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A-1210477 | A-1210477 : BH3 mimetic inhibitor of MCL1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (2 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
MCL1
  • Ki:0.454 nM
BH3 mimetic
Up to 3 uM

Selectivity

In Vitro Selectivity Assessment

Potency: Ki - BCL2: 0.132 uM, BCLXL >0.660 uM

Potency Assay Off-Target:
TR-FRET binding assay
In Cell Selectivity Assessment
Potency Assay Off-Target:
A-1210477 had no affect on NOXA expression or on the localization of mCherry labeled BAD.

Potency
Cellular
In Vitro

MCL1

Mode of Action: BH3 mimetic

Structure-Activity-Relationship data available? Yes

Orthogonal Probes def

AMG-176
S63845

Chemical Information

Molecular Formula C46H55N7O7S
SMILEs Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12
InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
Molecular weight 849.39 Da
AlogP 6.05282
HBond acceptors 14
HBond donors 1
Atoms 116
PAINS * Yes

* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )

References

Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

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

    Expert Reviews

    by SERP
    (on 13 Apr 2017 )
    Cellular Use Rating
    In Model Organisms
    One might have expected rodent data on A-1210477 to have appeared by now, suggesting the experiments may not have worked. For cell-line studies, some of the less active analogues in PMID 25679114 would...
    by SERP
    (on 17 Apr 2017 )
    Cellular Use Rating
    In Model Organisms
    There are much better probes for MCL-1 now available with significantly better cell potency and demonstrated in vivo efficacy, such as AMG-176 (disclosed in 2017 AACR and ACS; Ki = 50 pM), AZD5991 (disclosed...
    by SERP
    (on 20 Apr 2017 )
    Cellular Use Rating
    ( The reviewer did not leave any comments )
    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