timolol [8322]



timolol


SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
InChIKey BLJRIMJGRPQVNF-JTQLQIEISA-N

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Log P 0.502
Molecular weight (Da) 316.2
Stereochemistry info full

Database connections

Structure pdb 6PS1 6PS6 3D4S
Model (Boltz2) β1 β2
Ligand site mutations β1
GPCRdb related ligands

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

timolol


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 2
Phase II 8
Phase III 4
Phase IV 8

Database connections

Structure pdb 6PS1 6PS6 3D4S
Model (Boltz2) β1 β2
Ligand site mutations β1

Sankey plot

Drug Information

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