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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 public 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