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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 public 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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