aprocitentan


SMILES Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N
InChIKey DKULOVKANLVDEA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 543.9

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 8.47 8.47 8.47 Guide to Pharmacology
ETA EDNRA Human Endothelin A pA2 6.7 6.7 6.7 Guide to Pharmacology
ETB EDNRB Human Endothelin A pA2 5.5 5.5 5.5 Guide to Pharmacology
ETB EDNRB Human Endothelin A pIC50 6.01 6.01 6.01 Guide to Pharmacology
ETA EDNRA Human Endothelin A pIC50 8.47 8.47 8.47 ChEMBL
ETB EDNRB Human Endothelin A pIC50 6.01 6.01 6.01 ChEMBL