CHEMBL69150


SMILES CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(C(=O)O)n2Cc1ccc2nsnc2c1
InChIKey LQKHSTBTPGBUTB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 487.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

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 Rat Endothelin A pIC50 7.01 7.01 7.01 ChEMBL
ETB EDNRB Human Endothelin A pIC50 5.8 5.8 5.8 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.01 7.01 7.01 ChEMBL