CHEMBL405677


SMILES CC(=O)[C@@H](Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey JNMRBSLUOYEORH-GMXKVRHKSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 12
Rotatable bonds 28
Molecular weight (Da) 1123.5

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 5.12 5.12 5.12 ChEMBL
ETA EDNRA Human Endothelin A pIC50 6.6 6.6 6.6 ChEMBL