mirabegron [5162]



mirabegron


SMILES Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
InChIKey PBAPPPCECJKMCM-IBGZPJMESA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Log P 2.772
Molecular weight (Da) 396.2
Stereochemistry info full

Database connections

Structure pdb 7DH5
Model (Boltz2) β3
Ligand site mutations β3

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

mirabegron


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 1
Phase II 3
Phase III 3
Phase IV 2

Database connections

Structure pdb 7DH5
Model (Boltz2) β3
Ligand site mutations β3

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score