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Afatinib | Afatinib : Covalent inhibitor of EGFR and ERBB2
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
EGFR
  • IC50:0.5 nM
  • EC50:13-71 nM
ERBB2
  • IC50:14 nM
  • EC50:13-71 nM
Covalent Inhibitor
Up to 100 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - LYN 736 nM

Selectivity Assessment Description:
Afatinib was assessed against 52 off-target kinases, and it was most potent against LYN.

Potency
Cellular
In Vitro

EGFR

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/onc.2008.109

ERBB2

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/onc.2008.109

In Vivo Validations

Mouse
Dose: 20 mg/kg
Route of delivery: Oral
Cmax: 83-309 nM
Organ of interest (O): xenograft

DOI Reference: 10.1038/onc.2008.109

Orthogonal Probes def

CANERTINIB
LAPATINIB
SJF1528

Chemical Information

Molecular Formula C24H25ClFN5O3
SMILEs CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
Molecular weight 485.16 Da
AlogP 0.0
HBond acceptors 8
HBond donors 2
Atoms 59

References

Publications

Cross References

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Vendors

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Expert Reviews

by SERP
(on 20 May 2016 )
Cellular Use Rating
In Model Organisms
Treat the quoted biochemical potency with caution as it is an irreversible inhibitor. Afatinib hits wild-type and activating-mutant forms of EGFR with similar potency.
by SERP
(on 20 May 2016 )
Cellular Use Rating
In Model Organisms
Potent irreversible inhibitor of EGFR and HER2. Some selectivity data are reported - ideally, a full kinase profile would be required to better understand higher dose range limit. Afatinib hits wild-type;and...
by SERP
(on 24 May 2016 )
Cellular Use Rating
In Model Organisms
As a probe for ERBB2 this would not be recommended as it exhibits greater potency for EGFR, more suitable selective probes for ERBB2 exist. Treat the quoted biochemical potency with caution as it is...
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