CHEMBL367958


SMILES CCS(=O)(=O)NCCOc1nc(N2CCOCC2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC
InChIKey DNIIBGYNGASUDE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 14
Molecular weight (Da) 636.2

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
ETB EDNRB Rat Endothelin A pKd 6.36 6.36 6.36 ChEMBL
ETA EDNRA Rat Endothelin A pKd 7.02 7.02 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 6.91 6.91 6.91 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.72 7.72 7.72 ChEMBL