CHEMBL111277


SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1
InChIKey JVWVTPZZEHLARL-OFEZKSIWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 578.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Pig Endothelin A pIC50 9.07 9.3 9.54 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 9.28 9.59 9.89 ChEMBL
ETB EDNRB Human Endothelin A pIC50 8.89 9.22 9.55 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.32 9.84 10.11 ChEMBL