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GNE-9822 | Inhibitor of ITK
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
ITK
  • Ki:0.7 nM
  • IC50:55 nM
Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment

Potency: Ki - Aurora A

Potency Assay Off-Target:
Aurora A Biochemical Assay
Selectivity Assessment Description:
Broad kinase selectivity of this molecule was observed: only six of 286 off-target kinases were i ...

Potency
Cellular
In Vitro

ITK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/jm500550e

In Vivo Validations

Mouse, Rat, Dog
Dose: 1 IV, 5-50 PO mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 2.9 (M), 3.0 (R), 5.4 (D) h
Systemic clearance: 40 (M), 70 (R), 21 (D) ml/min/Kg

DOI Reference: 10.1021/jm500550e

Chemical Information

Molecular Formula C24H32N6O
SMILEs CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1
InChI InChI=1S/C24H32N6O/c1-24(2)12-10-19-20(14-24)27-28-22(19)23(31)26-18-15-25-30(16-18)21(11-13-29(3)4)17-8-6-5-7-9-17/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,31)(H,27,28)/t21-/m0/s1
Molecular weight 420.26 Da
AlogP 0.0
HBond acceptors 7
HBond donors 2
Atoms 63

References

Publications

Cross References

canSARChEMBLBindingDBPDB

Vendors

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Expert Reviews

No SERP comments found for GNE-9822

Probe GNE-9822 is in the process of SERP review.

Please continue to check back for new reviews and commentary.