PD-156707


SMILES COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)\C(=O)[O-])/Cc1cc(OC)c(c(c1)OC)OC.[Na+]
InChIKey ZLHQEGFYBMZQGM-RKVLWQGQSA-M

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 528.1

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
ETA EDNRA Human Endothelin A pKd 9.0 9.4 9.8 Guide to Pharmacology
ETA EDNRA Human Endothelin A pKi 9.77 9.77 9.77 ChEMBL
ETA EDNRA Human Endothelin A pKd 7.6 7.6 7.6 ChEMBL
ETB EDNRB Human Endothelin A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pA2 8.1 8.65 9.2 Guide to Pharmacology
ETA EDNRA Rat Endothelin A pIC50 8.89 8.89 8.89 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.51 9.51 9.51 ChEMBL
ETB EDNRB Pig Endothelin A pIC50 6.47 6.47 6.47 ChEMBL
ETB EDNRB Human Endothelin A pIC50 6.38 6.38 6.38 ChEMBL