CHEMBL1205177


SMILES CC(C)C[C@@H]1NC(=O)[C@@H](c2cccs2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N2CCN(c3ccccc3)CC2)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
InChIKey HAHANBGRLRTDGL-HKJVWEGHSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 12
Molecular weight (Da) 927.4

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 6.23 6.23 6.23 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 6.89 6.89 6.89 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.62 9.62 9.62 ChEMBL