CHEMBL1205068


SMILES COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1
InChIKey FQABVYJPVNBEGC-CLCOLTQESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 520.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pKd 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Rat Endothelin A pIC50 9.52 9.52 9.52 ChEMBL
ETB EDNRB Pig Endothelin A pIC50 6.47 6.47 6.47 ChEMBL