sitaxsentan


SMILES O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C
InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 454.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Rat Endothelin A pKi 9.37 9.37 9.37 ChEMBL
ETA EDNRA Human Endothelin A pKi 9.37 9.37 9.37 ChEMBL
ETA EDNRA Rat Endothelin A pKi 8.03 8.03 8.03 Drug Central
ETA EDNRA Human Endothelin A pKi 8.03 8.03 8.03 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 8.85 8.85 8.85 ChEMBL
ETA EDNRA Human Endothelin A pA2 8.0 8.0 8.0 Guide to Pharmacology
ETB EDNRB Human Endothelin A pIC50 8.3 8.3 8.3 Drug Central
ETB EDNRB Human Endothelin A pIC50 5.01 5.01 5.01 ChEMBL