CHEMBL1672885


SMILES COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCOCCOCCOCCn3cc(CNS(=O)(=O)c4ccc(F)cc4)nn3)c2)cc1
InChIKey SYMLFHWTJLQEBY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 2
Rotatable bonds 24
Molecular weight (Da) 906.3

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 6.05 6.05 6.05 ChEMBL
ETA EDNRA Mouse Endothelin A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database