A192621


SMILES CCCOc1ccc(cc1)[C@@H]1N(CC(=O)Nc2c(CC)cccc2CC)C[C@@H]([C@H]1C(=O)O)c1ccc2c(c1)OCO2
InChIKey LQEHCKYYIXQEBM-FUKIBTTHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 558.3

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 pKd 8.1 8.1 8.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 5.0 5.18 5.44 ChEMBL
ETB EDNRB Human Endothelin A pIC50 7.92 8.35 9.1 ChEMBL