CHEMBL611626


SMILES COc1cc(CC2=C(c3ccc4c(c3)OCO4)C(=O)OC2(O)c2ccc(OCCOc3ccc(S(C)(=O)=O)cc3)cc2)cc(OC)c1OC
InChIKey HGWHELBDVRUNGP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 13
Molecular weight (Da) 690.2

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
ETB EDNRB Mouse Endothelin A pKi 7.02 7.02 7.02 ChEMBL
ETA EDNRA Mouse Endothelin A pKi 9.44 9.44 9.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database