CHEMBL3314229


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](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey YBPFGXOEWSSHEJ-YHWWVESDSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 18
Rotatable bonds 33
Molecular weight (Da) 1258.6

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
kisspeptin KISSR Human Kisspeptin A pKi 10.42 10.42 10.42 ChEMBL
kisspeptin KISSR Rat Kisspeptin A pKi 10.06 10.06 10.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
kisspeptin KISSR Human Kisspeptin A pEC50 9.03 9.03 9.03 ChEMBL
kisspeptin KISSR Rat Kisspeptin A pEC50 8.41 8.41 8.41 ChEMBL