Brexpiprazole
Function
DrugBank ID:
Description:
Brexpiprazole is a novel D2 dopamine and serotonin 1A partial agonist, called serotonin-dopamine activity modulator (SDAM), and a potent antagonist of serotonin 2A receptors, noradrenergic alpha 1B and 2C receptors. Brexpiprazole is approved for the treatment of schizophrenia, and as an adjunctive treatment for major depressive disorder (MDD). Although it failed Phase II clinical trials for ADHD, it has been designed to provide improved efficacy and tolerability (e.g. less akathisia, restlessness and/or insomnia) over established adjunctive treatments for major depressive disorder (MDD). [DrugBank]
Targets:
5-hydroxytryptamine receptor 1A (Humans); Dopamine D2 receptor (Humans); 5-hydroxytryptamine receptor 2A (Humans); Alpha-2C adrenergic receptor (Humans); Alpha-1B adrenergic receptor (Humans) [DrugBank]
Pharmacodynamics:
Not Available [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Brexpiprazole: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Brexpiprazole in the SMILES input box.
Step 2 - Blind docking for Brexpiprazole: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Brexpiprazole to perform blind docking.