CHEMBL8923


SMILES CCCCN(CCCC)C(=O)CN1CC(c2ccc3c(c2)OCO3)C(C(=O)O)C1c1ccc(OC)cc1
InChIKey MOTJMGVDPWRKOC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 510.3

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 Human Endothelin A pKi 6.86 6.86 6.86 ChEMBL
ETA EDNRA Human Endothelin A pKi 10.16 10.16 10.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Pig Endothelin A pIC50 6.29 6.29 6.29 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 9.44 9.44 9.44 ChEMBL
ETB EDNRB Human Endothelin A pIC50 7.01 7.01 7.01 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.96 9.96 9.96 ChEMBL