CHEMBL308269


SMILES Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccno3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NS(=O)(=O)Cc2ccccc2)c1
InChIKey XRUKXLWYVUMZLF-MPQUPPDSSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 717.3

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 9.3 9.3 9.3 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.27 8.27 8.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database