CHEMBL70895


SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CCNCC2)nc1OCCOC(=O)Nc1ccccn1
InChIKey KXJZFAQLRGGYSV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 663.2

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 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 7.6 7.6 7.6 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.52 8.52 8.52 ChEMBL