CHEMBL310039


SMILES C=CS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1
InChIKey CSBNIDOCJNQVQX-IOWSJCHKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 653.2

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
ETB EDNRB Human Endothelin A pKi 9.85 9.85 9.85 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database