Indoles as Predicted GLP1R Positive Allosteric Modulators

Representative exemplars

TopLeft: drTargetMolName. Top right: GLP1R PAM score. Down left: cluster ID. Down right: whether the score is from experimental values or predicted.

Interactions of compounds with relevant ChEMBL phenotypes.

Network view. 

Interactions of compounds with relevant ChEMBL phenotypes.

TreeMap view. 

Some of these compounds show activity in the PubChem screens used to build the machine learning model

Click below to examine distribution histograms for predicted GLP1R score, MW and developability properties. 

activityScore

molecularWeight

Druglikeness QedWeighted

Druglikeness DataWarrior

Cytotoxicity score