Chemical Probes logo
Brigatinib | Inhibitor of ALK
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ALK
  • IC50:0.6 nM WT; 0.6 nM C1156Y; 1.4 nM F1174L; 1.7 nM L1196M; 4.9 nM G1202R; 6.6 nM R1275Q
  • IC50, GI50:29 nM (ALK+); 3194 nM (ALK-); 14 nM EML4-ALK; 45 nM EML4-ALK (C1156Y); 55 nM EML4-ALK (F1174L); 41 nM EML4-ALK (L1196M); 194 nM EML4-ALK (G1202R)
Inhibitor
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

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

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

Ceritinib
CH5424802
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 5.09
HBond acceptors 9
HBond donors 2
Atoms 79

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

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.