CHEMBL174607


SMILES CC#CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC
InChIKey LQWPXZAKPMZPOE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 559.2

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
ETA EDNRA Rat Endothelin A pKd 7.15 7.15 7.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 5.5 5.5 5.5 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.07 7.07 7.07 ChEMBL