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BAY-549 | BAY-549 : Inhibitor of ROCK1, ROCK2
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
ROCK1
  • IC 50:0.6 nM
  • Ki:3.7 nM
  • IC50:65 nM
ROCK2
  • IC 50:1.2 nM
  • Ki:4.8 nM
  • IC50:65 nM
Inhibitor
0.5 to 1 uM
up to 100 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - Trk-A 252 nM, Flt3 303 nM

Potency Assay Off-Target:
Kinase panel
Selectivity Assessment Description:
Selectivity >250 fold vs all other kinases (Upstate panel @ 10 µM) Clean GPCR scan except for activi ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
LeadProfilingScreen closest off-targets @ 10 µM: SLC6A3 (DAT, human) IC50 = 0.4 µM

Potency
Cellular
In Vitro

ROCK1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/sj.bjp.0707484

ROCK2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/sj.bjp.0707484

In Vivo Validations

Rat, Mouse, Dog
Dose: 1 mg/Kg, 3 mg/Kg, 10 mg/Kg, 0.1-0.3 mg/Kg IV
Route of delivery: Intravenous, Oral
Plasma half life: 1.50 (m) 1.24 (r) 2.50 (d) h
Systemic clearance: 1.90 (m) 1.20 (r) 0.233 (d) L/h*Kg

DOI Reference: 10.1038/sj.bjp.0707484

Negative Control Compounds

BAY-4900

Chemical Information

Molecular Formula C18H13ClF2N6O
SMILEs Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
InChI InChI=1S/C18H13ClF2N6O/c1-8-7-24-17-15(8)12(2-3-23-17)28-16-10(20)4-9(5-11(16)21)25-14-6-13(19)26-18(22)27-14/h2-7H,1H3,(H,23,24)(H3,22,25,26,27)
Molecular weight 402.08 Da
AlogP 4.711020000000001
HBond acceptors 7
HBond donors 4
Atoms 41

References

Publications

Cross References

SGC additional analysis

Vendors

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Expert Reviews

by SERP
(on 7 Jun 2020 )
Cellular Use Rating
In Model Organisms
The selectivity screening only included 112 kinases, data not supplied. It is possible that wider screening would identify additional inhibited kinases, albeit that the closest relatives to ROCK1 and...
by SERP
(on 28 Jun 2020 )
Cellular Use Rating
In Model Organisms
This compound is also called ROCK-IN-2, Azaindole 1, Azaindole 1, TC-5 7001 and the CAS No. is 867017-68-3 Schirok et al ChemMedChem 3 (2008) 1893 – 1904 (Cmpd 32) SAR development? Yes, clear...
by SERP
(on 24 Mar 2021 )
Cellular Use Rating
In Model Organisms
BAY-549, also known as compound 32 in Schirok H, et al ChemMedChem 2008, or Azaindole 1 in Kast R, et al Br J Pharmacol 2007, is a high quality tool compound for ROCK1/2. It is active in rabbit isolated...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria