bosentan



bosentan


SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
InChIKey GJPICJJJRGTNOD-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 551.2

Database connections

Structure pdb 5XPR

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

bosentan


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 8
Phase II 10
Phase III 15
Phase IV 4

Database connections

Structure pdb 5XPR

Sankey plot

Drug Information

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