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JQ1 | 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
  • Kd:128 nM
  • IC50:76.9 BD1, 32.6 BD2 nM
BRD4
  • Kd:49.0 BD1, 90.1 BD2 nM
  • IC50:17.7 nM
BRD3
  • Kd:59.1 BD1, 82.0 BD2 nM
BRDT
  • Kd:190.2 BD1 nM
Inhibitor
10 nM - 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Differential scanning fluorimetry; for comparison BRD2/1: 6.47, BRD2/2: 7.97, BRD3/1: 8.27, BRD3/2: ...
Selectivity Assessment Description:
In ExpressProfile, negligible activity was detected: H2 [cimetindine]: -27, Neurokinin NK3 [SB 22 ...

Potency
Cellular
In Vitro

BRD2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nature09504

BRD4

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nature09504

BRD3

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nature09504

BRDT

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nature09504

In Vivo Validations

Mouse
Dose: 50 mg/kg
Route of delivery: Oral, Intravenous
Plasma half life: 0.897 hr (IV), 1.39 hr (oral)
Systemic clearance: 2.35 L/hr/kg (IV)
Organ of interest (O): xenograft
Target engagement assay: Indirect: effacement of NUT nuclear speckles, consistent with competitive binding to nuclear chromatin

DOI Reference: 10.1038/nature09504

Negative Control Compounds

(-)-JQ1

Orthogonal Probes def

MT1
PFI-1
CPI-0610

Chemical Information

Molecular Formula C23H25ClN4O2S
SMILEs Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
Molecular weight 456.14 Da
AlogP 0.0
HBond acceptors 6
HBond donors --
Atoms 56

Expert Reviews

by SERP
(on 18 May 2016 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 24 May 2016 )
Cellular Use Rating
In Model Organisms
JQ1 is very potent probe for the BET family of proteins that can be used in cells.
by SERP
(on 30 May 2016 )
Cellular Use Rating
In Model Organisms
This is an excellent selective cellular probe for the BET family of bromodomains, binding potently to all eight (BD1 and BD2 of BRD2/3/4/T). It has been extensively used in cells as a positive control....

Portal Comments

In a 2023 study, Hu et al. evaluated JQ1 in live-cell assays for Phospholipidosis induction, cautioning about adverse effects at concentrations near 1 uM. (DOI: 10.1016/j.chembiol.2023.09.003)

(last updated: 7 Nov 2023)

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