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BAY-1816032 | Inhibitor of BUB1
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
BUB1
  • IC50:6.1 nM
  • Kd:2.1 nM
  • IC50:1 nM
  • IC50:20 nM
Inhibitor
300 nM
100 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Kinase selectivity was determined at 0.1 and 1 uM, in an active site-directed competition-binding as ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
BAY 1816032 did not inhibit ezrin/radixin/moesin phosphorylation in Jeg-3 and HCT116 cells, did not ...

Potency
Cellular
In Vitro

BUB1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1158/1078-0432.CCR-18-0628

In Vivo Validations

Mouse
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 1.8 h
Systemic clearance: 3.7 L/h/Kg
Volume of Distribution at Steady-State: 4.0 L/Kg

DOI Reference: 10.1158/1078-0432.CCR-18-0628

Dose: 1 mg/Kg
Route of delivery: Oral
Plasma half life: 1.8 h
Cmax: 0.024 ug/L
Tmax: 0.25 h
Bioavailability: 22%

DOI Reference: 10.1158/1078-0432.CCR-18-0628

Rat
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 3.9 h
Systemic clearance: 1.7 L/h/Kg
Volume of Distribution at Steady-State: 4.5 L/Kg

DOI Reference: 10.1158/1078-0432.CCR-18-0628

Dose: 5 mg/Kg
Route of delivery: Oral
Plasma half life: 5.8 h
Cmax: 0.054 ug/L
Tmax: 7.0 h
Bioavailability: 60%

DOI Reference: 10.1158/1078-0432.CCR-18-0628

Dog
Dose: 0.5 mg/Kg
Route of delivery: Intravenous
Plasma half life: 4.2 h
Area Under the Curve:: 0.56 L/h/Kg
Volume of Distribution at Steady-State: 2.5 L/Kg

DOI Reference: 10.1158/1078-0432.CCR-18-0628

Dose: 0.5 mg/Kg
Route of delivery: Oral
Plasma half life: 4.7 h
Cmax: 0.17 ug/L
Tmax: 1.0 h
Bioavailability: 59%

DOI Reference: 10.1158/1078-0432.CCR-18-0628

Chemical Information

Molecular Formula C27H24F2N6O4
SMILEs COc1cnccc1Nc1nc(-c2nn(Cc3c(F)cc(OCCO)cc3F)c3ccccc23)ncc1OC
InChI InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33)
Molecular weight 534.18 Da
AlogP 4.346700000000003
HBond acceptors 10
HBond donors 2
Atoms 63

References

Publications

Cross References

ChEMBL PDB PubChem canSAR

Vendors

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Expert Reviews

by SERP
(on 15 Sept 2020)
Cellular Use Rating
In Model Organisms
BAY 1816032 is an exquisitely selective ATP-competitive inhibitor of BUB1 kinase with long residence time (t1/2 of 87 or 203 minutes, measured by kPCA or SPR, respectively). In the DiscoveRx panel of...
by SERP
(on 9 Oct 2020)
Cellular Use Rating
In Model Organisms
BAY-1816032 is a useful chemical tool to investigate the effects of inhibition of human BUB1 in human cancer cells lines, in vitro and in murine xenograft studies. Suitable in vivo doses in murine models...
by SERP
(on 27 May 2026)
Cellular Use Rating
In Model Organisms
BAY 1816032 is a potent and selective inhibitor of BUB1 kinase with demonstrated cellular activity and oral bioavailability. It is an appropriate probe for studying the catalytic functions of BUB1 in cellular...
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