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BI-9564 | BI-9564 : inhibitor of BRD9 and BRD7
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
BRD9
  • Kd:BRD9 14 nM
  • Kd:6 nM
  • IC 50:275 nM
BRD7
  • IC 50:239 nM
Inhibitor
300 nM - 1 uM

Selectivity

In Vitro Selectivity Assessment
CECR2

Gene ID: Q9BXF3

Organism: Homo sapiens

Family:

Potency: Kd - CECR2 200 nM

Potency Assay Off-Target:
Thermal shift measured against 48 bromodomains BRD9 +9.2°C BRD7 +6.5°C CECR2 +5.6°C BETs <1°C A ...
Selectivity Assessment Description:
Kinase selectivity: percent control inhibition at 10 µM ACVR1 76%, IC50 (ACVR1) = 5090 mM TGFBR1 74% ...

Potency
Cellular
In Vitro

BRD9

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: doi: 10.1021/acs.jmedchem.5b01865

BRD7

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: doi: 10.1021/acs.jmedchem.5b01865

In Vivo Validations

Mouse
Dose: 180 mg/kg
Route of delivery: Oral
Plasma half life: 2.1 h
Systemic clearance: 39 mL/min/kg
Organ of interest (O): None

DOI Reference: doi: 10.1021/acs.jmedchem.5b01865

Negative Control Compounds

Not available

Orthogonal Probes def

I-BRD9
LP-99
dBRD9

Chemical Information

Molecular Formula C20H23N3O3
SMILEs COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C
InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
Molecular weight 353.17 Da
AlogP 2.6793000000000005
HBond acceptors 6
HBond donors --
Atoms 49

References

Publications

Cross References

Vendors

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Expert Reviews

by SERP
(on 10 Aug 2016 )
Cellular Use Rating
In Model Organisms
BI-9564 was discovered by fragment-based screening and optimized by structure-based design. BI-9564 has a higher affinity for BRD9 (ITC Kd =14) than BRD7 (ITC Kd = 239 nM), and the affinities for BET...
by SERP
(on 10 Aug 2016 )
Cellular Use Rating
In Model Organisms
This is a pharma probe optimized by SBD from a fragment screen. More potent BRD9 (1-80 nM) vs. BRD7 (200-4000 nM), and selective (>1000-fold vs. BRD2, BRD4, BET). The probe hits one BRD protein outside...
by SERP
(on 5 Sept 2016 )
Cellular Use Rating
In Model Organisms
This probe appears better for both in vitro and cell work than the companion probe in the paper (BI-7273). The selectivity in vitro appears quite good for BRD9 even versus the closely related BRD7....
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