CHEMBL3734921


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](CC(=O)O)NC(=O)NO)C(N)=O
InChIKey MFNKCBOJHDRHGZ-ZIUUJSQJSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 9
Rotatable bonds 23
Molecular weight (Da) 800.4

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
NK3 NK3R Human Tachykinin A pIC50 8.0 8.0 8.0 ChEMBL
NK3 NK3R Human Tachykinin A pEC50 10.37 10.37 10.37 ChEMBL