SB209670


SMILES CCCOc1ccc2c(c1)[C@H]([C@@H]([C@H]2c1ccc2c(c1)OCO2)C(=O)O)c1ccc(cc1OCC(=O)O)OC
InChIKey UUAVCCWBNUITBB-UPRLRBBYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 520.2

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
ETB EDNRB Human Endothelin A pKi 7.75 7.8 7.83 ChEMBL
ETA EDNRA Human Endothelin A pKi 9.37 9.48 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Rat Endothelin A pKB 9.4 9.4 9.4 Guide to Pharmacology
ETA EDNRA Rat Endothelin A pKB 9.4 9.4 9.4 Guide to Pharmacology