CHEMBL368107


SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCCNS(=O)(=O)c1ccc(C)cc1
InChIKey VKZGOHFGTOOZHY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 712.2

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 6.97 6.97 6.97 ChEMBL
ETA EDNRA Rat Endothelin A pKd 5.32 5.32 5.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 7.62 7.62 7.62 ChEMBL
ETA EDNRA Human Endothelin A pIC50 6.94 6.94 6.94 ChEMBL