CHEMBL93331


SMILES Cc1ccccc1[C@@H](CCC(=O)O)Oc1cc(OCc2cnsc2)ccc1C#N
InChIKey LFOQFWMAMDUQMO-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 408.1

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
ETB EDNRB Rat Endothelin A pIC50 5.0 5.0 5.0 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 8.15 8.15 8.15 ChEMBL