CHEMBL439759


SMILES Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1
InChIKey JFNANCYIHVAEQV-RRPNLBNLSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 497.2

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 Pig Endothelin A pKi 4.96 4.96 4.96 ChEMBL
ETB EDNRB Pig Endothelin A pKi 7.44 7.44 7.44 ChEMBL
ETB EDNRB Human Endothelin A pKi 7.44 7.44 7.44 ChEMBL
ETA EDNRA Human Endothelin A pKi 4.96 4.96 4.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database