buspirone [1536]



buspirone


SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChIKey QWCRAEMEVRGPNT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Log P 2.088
Molecular weight (Da) 385.2
Stereochemistry info unspecified

Database connections

Structure pdb 9MD1 9VJE 9VJF 8FYX 9R41 9DYE
Model (Boltz2) 5-HT1A D2
Ligand site mutations 5-HT1A D2

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

buspirone


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 4
Phase II 18
Phase III 8
Phase IV 9

Database connections

Structure pdb 9MD1 9VJE 9VJF 8FYX 9R41 9DYE
Model (Boltz2) 5-HT1A D2
Ligand site mutations 5-HT1A D2

Sankey plot

Drug Information

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