CHEMBL367382


SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCC#CCO
InChIKey FPZOGKSKYWZFIO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 575.2

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
ETA EDNRA Rat Endothelin A pKd 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 6.08 6.08 6.08 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.29 7.29 7.29 ChEMBL