PD-156707


SMILES COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIKey PWIPORDFWDZCJG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 506.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pKi 6.86 6.86 6.86 ChEMBL
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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Mouse Endothelin A pIC50 6.11 6.11 6.11 ChEMBL
ETA EDNRA Mouse Endothelin A pIC50 9.52 9.52 9.52 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 9.36 9.36 9.36 ChEMBL
ETB EDNRB Human Endothelin A pIC50 6.11 6.38 6.92 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.96 9.39 9.52 ChEMBL