CHEMBL305524


SMILES CCSCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)O
InChIKey LZBDEPUGFFURHL-JIJGDNSHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 665.2

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 Pig Endothelin A pIC50 8.72 8.72 8.72 ChEMBL
ETB EDNRB Pig Endothelin A pIC50 8.74 8.74 8.74 ChEMBL
ETB EDNRB Human Endothelin A pIC50 8.44 8.44 8.44 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.19 8.19 8.19 ChEMBL