CHEMBL368738


SMILES CCCS(=O)(=O)NCCOc1nc(N2CCOCC2)nc(NS(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC
InChIKey KZOKREKJZZEWAD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 14
Molecular weight (Da) 622.2

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 5.58 5.58 5.58 ChEMBL
ETA EDNRA Rat Endothelin A pKd 6.61 6.61 6.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 6.03 6.03 6.03 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.29 7.29 7.29 ChEMBL