CHEMBL2163704


SMILES COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(SC)cn1
InChIKey JOBIZVVLDQEHKD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 1
Rotatable bonds 15
Molecular weight (Da) 647.2

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 Human Endothelin A pIC50 7.38 7.38 7.38 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.96 8.96 8.96 ChEMBL