CHEMBL385405


SMILES CC(=O)N[C@H](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)C1c2ccccc2CCc2ccccc21
InChIKey DTNUUCGDOGDUBL-NHTZSVLLSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 11
Rotatable bonds 23
Molecular weight (Da) 1082.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 5.72 5.72 5.72 ChEMBL
ETB EDNRB Human Endothelin A pIC50 5.37 5.37 5.37 ChEMBL