PENBUTOLOL [43076]



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
Log P 3.472
Molecular weight (Da) 291.2
Stereochemistry info full

Database connections

Model (Boltz2) β1 β2 5-HT1A
Ligand site mutations 5-HT1A

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

PENBUTOLOL


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 4

Database connections

Model (Boltz2) β1 β2 5-HT1A
Ligand site mutations 5-HT1A

Sankey plot

Drug Information

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