CHEMBL2261360


SMILES COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2cc(CO)ccc12
InChIKey PGAMLYVKCIXYNX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 522.1

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
ETB EDNRB Human Endothelin A pKi 5.82 5.82 5.82 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 6.17 6.39 6.61 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.06 8.36 8.66 ChEMBL