CHEMBL172297


SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C2CC2)nc1OCCCNS(=O)(=O)c1cccs1
InChIKey BCRJIIJVFJJYRD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 14
Molecular weight (Da) 672.2

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
ETB EDNRB Rat Endothelin A pKd 7.95 7.95 7.95 ChEMBL
ETA EDNRA Rat Endothelin A pKd 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 7.85 7.85 7.85 ChEMBL
ETB EDNRB Human Endothelin A pIC50 8.7 8.7 8.7 ChEMBL