PENBUTOLOL


SMILES CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1
InChIKey KQXKVJAGOJTNJS-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 291.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations 5-HT1A

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.06 8.06 8.06 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.05 8.05 8.05 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database