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Emavusertib | Emavusertib : Inhibitor of IRAK4
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
IRAK4
  • IC50:31.7 nM
  • IC50:514 nM
  • IC50:270 nM
  • IC50:696-1375 nM
Inhibitor
up to 1 µM to limit off-target effect (CLK-family)
up to 5 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Evaluated in a broad kinome panel (Eurofins, 329 kinases) at 1 µM and 10 µM. Apart from IRAK4, Emavu ...

Potency
Cellular
In Vitro

IRAK4

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acsmedchemlett.0c00255

In Vivo Validations

Mouse
Dose: 3 mg/Kg
Route of delivery: Intravenous
Plasma half life: 2.6 h
Systemic clearance: 556 mL/h/kg
Area Under the Curve:: 5274 h*ng/mL
Volume of Distribution at Steady-State: 661 mL/kg

DOI Reference: 10.1021/acsmedchemlett.0c00255

Dose: 10 mg/Kg
Route of delivery: Oral
Cmax: 6618 ng/mL
Tmax: 0.5 h
Area Under the Curve:: 12464 h*ng/mL
Bioavailability: 71%

DOI Reference: 10.1021/acsmedchemlett.0c00255

Rat
Dose: 3 mg/Kg
Route of delivery: Intravenous
Plasma half life: 5.3 h
Systemic clearance: 24 mL/h/kg
Area Under the Curve:: 111567 h*ng/mL
Volume of Distribution at Steady-State: 2000 mL/Kg

DOI Reference: 10.1021/acsmedchemlett.0c00255

Dose: 10 mg/Kg
Route of delivery: Oral
Cmax: 22147 ng/mL
Tmax: 1.2 h
Area Under the Curve:: 171258 h*ng/mL
Bioavailability: 46%

DOI Reference: 10.1021/acsmedchemlett.0c00255

Dog
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 2.6 h
Systemic clearance: 186 mL/h/kg
Area Under the Curve:: 6064 h*ng/mL
Volume of Distribution at Steady-State: 500 mL/Kg

DOI Reference: 10.1021/acsmedchemlett.0c00255

Dose: 10 mg/Kg
Route of delivery: Oral
Cmax: 12823 ng/mL
Tmax: 1.17 h
Area Under the Curve:: 86465 h*ng/mL
Bioavailability: 100%

DOI Reference: 10.1021/acsmedchemlett.0c00255

Orthogonal Probes def

ZIMLOVISERTIB

Chemical Information

Molecular Formula C24H25N7O5
SMILEs Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1
InChI InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
Molecular weight 491.19 Da
AlogP 0.0
HBond acceptors 12
HBond donors 2
Atoms 61

References

Publications

Cross References

canSARChEMBLBindingDBPDB

Vendors

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Expert Reviews

by SERP+
(on 22 Mar 2023 )
Cellular Use Rating
In Model Organisms
The probe is generally well characterized and optimized for in vivo use. At 1 µM four other kinases (FLT3, CLK1, CLK2 and CLK4) are inhibited >90% (target inhibiton at this conectration = 82%). The compound...
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