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

Clinical Trials

Phase I 8
Phase II 10
Phase III 15
Approved Yes

Database connections

Structure pdb 5XPR

Sankey plot

Drug Information

Target Disease Phase
Gene Protein Receptor family Ligand type Class Indication name ICD11 ATC Association score Phase Approved