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CH5424802 | CH5424802 : ATP competitive inhibitor of ALK
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
ALK
  • Ki:0.83 nM
  • IC50:1.9 nM
  • Kd:2.4 nM
ATP competitive
Up to 50 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
CH5424802 was tested against 402 kinases with >50% inhibition at 10 nM of ALK, GAK, and LTK only.

Potency
Cellular
In Vitro

ALK

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.ccr.2011.04.004

In Vivo Validations

Mouse
Dose: 6 mg/kg
Route of delivery: Oral
Plasma half life: 8.6 hr
Organ of interest (O): xenograft
Target engagement assay: Indirect: inhibition of ALK autophosphorylation

DOI Reference: 10.1016/j.ccr.2011.04.004

Orthogonal Probes def

Ceritinib
Brigatinib
TL13-112

Chemical Information

Molecular Formula C30H34N4O2
SMILEs CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
Molecular weight 482.27 Da
AlogP 4.77328
HBond acceptors 6
HBond donors 1
Atoms 70

Vendors

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Expert Reviews

by SERP
(on 31 May 2016 )
Cellular Use Rating
In Model Organisms
This molecule is a potent, selective and orally bioavailable. It is highly selective (1.9 nM biochemical assay; 2.4 nM Kd) against target, with only 2 other kinases showing >50% inhibition at 10 uM...
by SERP
(on 17 Jun 2016 )
Cellular Use Rating
In Model Organisms
CH5424802 (alectinib) is a second generation ALK inhibitor. The compound inhibits the ALK gate-keeper mutation L1196M, one of the commonly seen secondary mutations leading to resistance to crizotibib,...
by SERP
(on 31 Dec 2016 )
Cellular Use Rating
In Model Organisms
This is an ATP-competitive inhibitor of ALK kinase with IC50=1.9nM and KD=2.4 nM. It is active on the wild-type protein and the L1196M gatekeeper mutant that confers resistance to other inhibitors. The...
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