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GPR40ant39 | GPR40ant39 : (Predicted) allosteric antagonist of FFAR1
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
FFAR1
  • IC50:160 nM
  • IC50:160 nM
Antagonist
16 nM - 1.6 uM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - Na+/K+ ATPase (pig): 790 nM

Potency Assay Off-Target:
The compound had no activity in CEREP panel, including 144 GPCRs, at 1 uM. The above is the only tar ...
Selectivity Assessment Description:
hERG pIC50=5.0

Potency
Cellular
In Vitro

FFAR1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

In Vivo Validations

male Zucker fa/fa rat
Dose: 80 mg/kg
Route of delivery: Oral
Plasma half life: 69 min
Systemic clearance: 30 mL/min/kg
Target engagement assay: Indirect. In beta-3 agonist challenge assays (lipolysis), GPR40ant39 inhibited nonesterified fatty acid (NEFA)-driven insulin resistance.

Reference: --

Orthogonal Probes def

FASIGLIFAM
TUG-469
AMG-837

Chemical Information

Molecular Formula C21H16F3N5O
SMILEs CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1
InChI InChI=1S/C21H16F3N5O/c1-21(10-25)11-29(12-21)17-8-13(27-20(28-17)15-4-2-3-7-26-15)9-30-16-6-5-14(22)18(23)19(16)24/h2-8H,9,11-12H2,1H3
Molecular weight 411.13 Da
AlogP 3.8847800000000037
HBond acceptors 6
HBond donors --
Atoms 46

References

Publications

    Cross References

    canSARChEMBL

    Vendors

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    Expert Reviews

    by SERP
    (on 6 Jun 2017 )
    Cellular Use Rating
    In Model Organisms
    A TR-FRET assay was employed, which indirectly demonstrated target antagonism (IC50=160 nM). Off-target activity was demonstrated on a panel of 144 GPCRs, including two family members, GPR43 (FFAR2)...
    by SERP
    (on 14 Jul 2017 )
    Cellular Use Rating
    In Model Organisms
    Essentially this probe has been demonstrated to have selectivity for FFAR1 in in vitro studies with transfected cells. There is limited off-target profiling at GPCRs and, at high concentrations, some...
    by SERP
    (on 9 Aug 2017 )
    Cellular Use Rating
    In Model Organisms
    GPR40ant39 is the result of a high-throughput screen in HEK cells transfected with GPR40 and stimulated with elaidic acid. Levels of the secondary messenger IP1 were measured as an endpoint. A medicinal...
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