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Ibrutinib | Covalent Inhibitor of BTK
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 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
BTK
  • IC50:0.5 nM
  • IC50:11 nM
  • IC50:29 nM
  • IC50:13 nM
Covalent Inhibitor
10 nM

Selectivity

In Vitro Selectivity Assessment
BLK

Gene ID: P51451

Organism: Homo sapiens

Family: Tyr protein kinase family

Potency: IC50 - 0.5 nM

In Vitro Selectivity Assessment
BMX

Gene ID: P51813

Organism: Homo sapiens

Family: Tyr protein kinase family

Potency: IC50 - 0.8 nM

In Cell Selectivity Assessment
Selectivity Assessment Description:
In primary cultures of T cells (which do not express Btk), up-regulation of CD69 induced by T cell r ...

Potency
Cellular
In Vitro

BTK

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1073/pnas.1004594107

In Vivo Validations

Mouse
Dose: 3.31 mg/Kg
Route of delivery: Oral
Plasma half life: 1.7 h
Systemic clearance: 79.8 L/h/Kg
Cmax: 0.101 uM
Tmax: 0.83 h
Area Under the Curve:: 0.09 uM*h

DOI Reference: 10.1073/pnas.1004594107

Dose: 14.2 mg/Kg
Route of delivery: Oral
Plasma half life: 3.1 h
Systemic clearance: 24.8 L/h/Kg
Cmax: 1.07 uM
Tmax: 0.33 h
Area Under the Curve:: 1.29 uM*h

DOI Reference: 10.1073/pnas.1004594107

Chemical Information

Molecular Formula C25H24N6O2
SMILEs C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
Molecular weight 440.20 Da
AlogP 0.0
HBond acceptors 8
HBond donors 2
Atoms 57

Vendors

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Expert Reviews

No SERP comments found for Ibrutinib

Probe Ibrutinib is in the process of SERP review.

Please continue to check back for new reviews and commentary.