CHEMBL176741


SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(N2CCOCC2)nc1OCC#CCOC(=O)Nc1cccnc1
InChIKey NNXCMHJFFYTMCA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 661.2

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 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 7.68 7.68 7.68 ChEMBL
ETB EDNRB Human Endothelin A pIC50 6.04 6.04 6.04 ChEMBL