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BLU9931 | Covalent inhibitor of FGFR4
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (2 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
FGFR4
  • Kinact/KI:0.6 X 10^5/(mol/L) s
Covalent inhibitor
50 - 500 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - FGFR1: 591 nM, FGFR2: 493 nM, FGFR3: 150 nM

Potency Assay Off-Target:
In kinome-wide selectivity panel containing 456 kinases (Kinomescan, DiscoveRx), BLU9931 bound signi ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
In FGFR1-driven cells (DMS114), BLU9931 had minimal activity.

Potency
Cellular
In Vitro

FGFR4

Mode of Action: Covalent inhibitor

Structure-Activity-Relationship data available? No

In Vivo Validations

Female Balb/c nude mouse
Dose: 10, 30 and 100 mg/kg
Route of delivery: Intravenous, Oral
Plasma half life: 2.3 h (oral, 10 mg/kg)
Organ of interest (O): Hep 3B xenograft
Target engagement assay: Indirect, assessment of CYP7A1 biomarker confirmed modulation of FGFR4.

Reference: --

Orthogonal Probes def

Roblitinib

Chemical Information

Molecular Formula C26H22Cl2N4O3
SMILEs C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1
InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)
Molecular weight 508.11 Da
AlogP 0.0
HBond acceptors 7
HBond donors 2
Atoms 57

References

Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

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    Expert Reviews

    by SERP
    (on 15 Mar 2017 )
    Cellular Use Rating
    In Model Organisms
    ( The reviewer did not leave any comments )
    by SERP
    (on 28 Mar 2017 )
    Cellular Use Rating
    In Model Organisms
    Overall, the selectivity (and limits thereof) has been appropriately validated. Direct evidence for cellular or in vivo target engagement is lacking. In addition, it should also be noted than IC50 values...
    by SERP
    (on 28 Mar 2017 )
    Cellular Use Rating
    This molecule represents the most selective FGFR4 inhibitor available. KINOMEscan methodology indicated that the only other kinase outside the FGFR family that is potentially inhibited is CSF1R (KD...
    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria