CHEMBL1672881


SMILES COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCc3cn(CCOCCOCCOCCF)nn3)c2)cc1
InChIKey MNTUQBKGVBUMOH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 1
Rotatable bonds 21
Molecular weight (Da) 751.3

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 5.07 5.07 5.07 ChEMBL
ETA EDNRA Mouse Endothelin A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database