L-754142


SMILES CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2
InChIKey JPPYWKVKLSBQJM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 539.2

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
ETA EDNRA Rat Endothelin A pKd 8.5 8.5 8.5 ChEMBL
ETB EDNRB Human Endothelin A pKi 8.27 8.27 8.27 ChEMBL
ETA EDNRA Human Endothelin A pKi 9.89 9.89 9.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Pig Endothelin A pIC50 6.05 6.05 6.05 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 7.39 7.39 7.39 ChEMBL
ETB EDNRB Human Endothelin A pIC50 8.36 8.36 8.36 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.59 9.59 9.59 ChEMBL