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AT1 | Degrader (PROTAC) of BRD4
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (1 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
BRD4
  • Kd:75 nM BD1, 45 nM BD2
  • DC50:100 nM
Degrader (PROTAC)
100-1000 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50

Selectivity Assessment Description:
Kinase off-target screening results. AT1 was screened at 1 μM concentration against a panel of 50 ...
In Cell Selectivity Assessment

Potency: DC50 - Brd2, Brd3

Potency Assay Off-Target:
Western blot (DC50 BRd2 and BRd3 > 3 microM) DC50 refers to the half maximal degradation concentrati ...
Selectivity Assessment Description:
Unbiased and quantitative isobaric tagging (TMT) mass spectrometry proteomics confirmed Brd4 as t ...

Potency
Cellular
In Vitro

BRD4

Mode of Action: Degrader (PROTAC)

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/nchembio.2329

Negative Control Compounds

cis-AT1

Orthogonal Probes def

MZ1
dBET1, ARV-825
MS436

Chemical Information

Molecular Formula C48H58ClN9O5S3
SMILEs CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)SCCCCCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
InChI InChI=1S/C48H58ClN9O5S3/c1-27-29(3)66-47-40(27)41(33-16-18-35(49)19-17-33)54-37(44-56-55-30(4)58(44)47)23-39(61)50-20-10-8-9-11-21-65-48(6,7)43(53-31(5)59)46(63)57-25-36(60)22-38(57)45(62)51-24-32-12-14-34(15-13-32)42-28(2)52-26-64-42/h12-19,26,36-38,43,60H,8-11,20-25H2,1-7H3,(H,50,61)(H,51,62)(H,53,59)/t36-,37+,38+,43-/m1/s1
Molecular weight 971.34 Da
AlogP 7.592880000000009
HBond acceptors 14
HBond donors 4
Atoms 124

References

Publications

Cross References

canSARChEMBL

Vendors

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Expert Reviews

by SERP
(on 15 Apr 2020 )
Cellular Use Rating
( The reviewer did not leave any comments )
by SERP
(on 15 May 2020 )
Cellular Use Rating
In Model Organisms
AT1 is a very good PROTAC ligand for targeted degradation of BRD4. Improved from previous PROTAC MZ1, AT1 has superior selectivity towards BRD4 in the BET family while retaining its potency (DC50 =...
by SERP
(on 14 Dec 2020 )
Cellular Use Rating
AT-1 is the first selective BRD4 PROTAC with in-family selectivity over BRD2 and BRD3. We have used it successfully in comparative studies with pan-BET PROTACs in different cell lines. Based on our...
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