Agonist of MRGPRX2



  • Agonist

In Vitro Validations

No in Vitro Validations

In Cell Validations

In Vivo Data

No in Vivo Validations

Off-Target Selectivity Assesments

Probe Selectivity in Cell:

315 GPCRs were screened at 10uM. Potential hits were re-screened by dose response. Two off-targets were identified: DRD4,EC50 >10uM; GPR37, EC50 >10uM

I have extra information to add

SERP ratings and comments

SERP Ratings

In Cell Rating

SERP Comments:

This probe was identified through an innovative approach to first screen a set of compounds using PRESTO-Tango, then using these results to refine a structural model that could be used for subsequent docking studies with a large set of compounds. These efforts have led to a probe is quite structurally novel relative to other GPCR ligands, has extremely high selectivity against a large collection of GPCRs as well as a broad panel of 76 kinases, and is active in an orthogonal cell assay. Another key attribute is that it possesses an inactive enantiomer, which can be used as an inactive probe.  The deficiencies of the probe are its relatively modest cellular functional potency (740 nM), the lack of a binding data (Kd) to the receptor, and lack of ADME/PK data to guide in vivo use.

(last updated: 19 May 2020 )