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MT1 | Bivalent inhibitor of BRD2, BRD4, BRD3, BRDT
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
BRD2
    • IC50:0.170 nM
    • IC50:0.792 nM
    BRD4
    • Kd:16.7 nM
    • IC50:3.09 nM
    • IC50:0.170 nM
    • IC50:0.792 nM
    BRD3
      • IC50:0.170 nM
      • IC50:0.792 nM
      BRDT
      • IC50:1.32 nM
      • IC50:0.170 nM
      • IC50:0.792 nM
      0.1-100 nM

      Selectivity

      In Vitro Selectivity Assessment
      Potency Assay Off-Target:
      MT1 compound showed picomolar displacement of phage expressing: BRD2(1): 160 pM; BRD2(1,2): ...
      Selectivity Assessment Description:
      In ExpresSProfile (CEREP) MT1 showed negligible activity for over 50 ligand receptors, ion channe ...

      Potency
      Cellular
      In Vitro

      BRD2

      Mode of Action: Bivalent inhibitor

      Structure-Activity-Relationship data available? No

      DOI Reference: 10.1038/nchembio.2209

      BRD4

      Mode of Action: Bivalent inhibitor

      Structure-Activity-Relationship data available? No

      DOI Reference: 10.1038/nchembio.2209

      BRD3

      Mode of Action: Bivalent inhibitor

      Structure-Activity-Relationship data available? No

      DOI Reference: 10.1038/nchembio.2209

      BRDT

      Mode of Action: Bivalent inhibitor

      Structure-Activity-Relationship data available? No

      DOI Reference: 10.1038/nchembio.2209

      In Vivo Validations

      Mouse
      Dose: 50 mg/kg
      Route of delivery: Intraperitoneal
      Plasma half life: 2.70 hr

      DOI Reference: 10.1038/nchembio.2209

      Orthogonal Probes def

      JQ1
      BiBET
      PFI-1

      Chemical Information

      Molecular Formula C54H66Cl2N10O9S2
      SMILEs Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)c1nnc(C)n1-2
      InChI InChI=1S/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44-/m0/s1
      Molecular weight 1132.38 Da
      AlogP 7.74152000000001
      HBond acceptors 19
      HBond donors 2
      Atoms 143

      Vendors

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

      Expert Reviews

      by SERP
      (on 28 Nov 2016)
      Cellular Use Rating
      In Model Organisms
      This is a highly potent BET bromodomain inhibitor with more than 100-fold higher cellular potency than the corresponding monovalent antagonist JQ1. Potencies for the on-target proteins of the parent...
      by SERP
      (on 23 Dec 2016)
      Cellular Use Rating
      In Model Organisms
      MT1 is a bivalent BET bromodomain inhibitor, which is >100-fold more potent in the cell than the monovalent inhibitor JQ1. In a xenograpt model, MT1 treatment decreased tumor burden compared with JQ1....
      by SERP
      (on 20 Jan 2017)
      Cellular Use Rating
      In Model Organisms
      (The reviewer did not leave any public comments)
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