CHEMBL3361406


SMILES CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O
InChIKey SXZSFDNNBWQEHJ-HDOKPUIBSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 26
Molecular weight (Da) 824.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

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 4.89 4.89 4.89 ChEMBL
NK3 NK3R Human Tachykinin A pEC50 5.72 5.72 5.72 ChEMBL