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Brigatinib | Inhibitor of ALK (Mutant:WT, C1156Y, F1174L, L1196M, G1202R, R1275Q)
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

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Targets Biochemical/Biophysical Potency Cellular Potency
ALK (Mutant:WT, C1156Y, F1174L, L1196M, G1202R, R1275Q)
  • IC50:0.6 nM
  • IC50:0.6 nM
  • IC50:1.4 nM
  • IC50:1.7 nM
  • IC50:4.9 nM
  • IC50:6.6 nM
  • IC50:29 nM
  • IC50:3194
  • GI50:14 nM
  • GI50:45 nM
  • GI50:55 nM
  • GI50:41 nM
  • GI50:194 nM
up to 500 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
In vitro HotSpotSM kinase profiling of 289 kinases: ∼4% (11 out of 289) of the kinases were inhib ...
In Cell Selectivity Assessment

Potency: IC50 - 18 nM CD74-ROS1, 158 nM FLT3-ITD

Selectivity Assessment Description:
IC50s (nM): >3,000 p-EGFR in EGF-stimulated H358 cells, 397 EGFR (L858R), 489 EGFR (L858R/T790 ...

Potency
Cellular
In Vitro

ALK (Mutant:WT, C1156Y, F1174L, L1196M, G1202R, R1275Q)

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.6b00306

In Vivo Validations

Mouse, Rat
Dose: 3, 10 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 4.8 (IV, R), 3.4 (PO, R), 5.8 (PO, M) h
Systemic clearance: 0.46 L/(h·kg) (IV, R)

DOI Reference: 10.1021/acs.jmedchem.6b00306

Orthogonal Probes def

Alectinib
SIAIS001
TL13-112

Chemical Information

Molecular Formula C29H39ClN7O2P
SMILEs COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
Molecular weight 583.26 Da
AlogP 5.090000000000003
HBond acceptors 9
HBond donors 2
Atoms 79

Vendors

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Expert Reviews

No SERP comments found for Brigatinib

Probe Brigatinib is in the process of SERP review.

Please continue to check back for new reviews and commentary.

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