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SMILES COC([C@@H](C(=O)O)Oc1nc(OC)cc(n1)OC)(c1ccccc1)c1ccccc1
InChIKey FEJVSJIALLTFRP-LJQANCHMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 410.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Rat Endothelin A pKi 8.22 8.22 8.22 ChEMBL
ETB EDNRB Human Endothelin A pKi 6.43 6.43 6.43 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.22 8.22 8.22 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.9 8.9 8.9 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 7.8 7.8 7.8 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.1 9.1 9.1 ChEMBL