CHEMBL3314217


SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey DWSSUDXCQGGUSN-JXTHBEIKSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 18
Rotatable bonds 32
Molecular weight (Da) 1253.6

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
kisspeptin KISSR Human Kisspeptin A pKi 10.55 10.55 10.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
kisspeptin KISSR Human Kisspeptin A pEC50 9.51 9.51 9.51 ChEMBL
kisspeptin KISSR Rat Kisspeptin A pEC50 8.66 8.66 8.66 ChEMBL