CHEMBL112624


SMILES Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)CO)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1
InChIKey YAWNVAQKVARTGQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 613.1

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 Human Endothelin A pKi 7.39 7.39 7.39 ChEMBL
ETA EDNRA Human Endothelin A pKi 10.82 10.82 10.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Pig Endothelin A pIC50 7.39 7.39 7.39 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 9.48 10.15 10.82 ChEMBL
ETB EDNRB Human Endothelin A pIC50 7.92 7.97 8.08 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.4 9.4 9.4 ChEMBL