CHEMBL323175


SMILES CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1CCCC1OCCO1
InChIKey XTWOCKNOYHCLDP-UMTXDNHDSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 518.3

Drug properties

Molecular type Small molecule
Endogenous/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
ETA EDNRA Rat Endothelin A pIC50 8.15 8.15 8.15 ChEMBL
ETB EDNRB Human Endothelin A pIC50 4.3 4.3 4.3 ChEMBL