CHEMBL3735812


SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O
InChIKey WSWLJEZTJGKSNF-ZTTXAYQISA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 28
Molecular weight (Da) 869.4

Drug properties

Molecular type Small molecule
Endogenous/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
NK3 NK3R Human Tachykinin A pEC50 10.72 10.72 10.72 ChEMBL
NK3 NK3R Human Tachykinin A pIC50 8.0 8.0 8.0 ChEMBL