CHEMBL2151654


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

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 20
Rotatable bonds 36
Molecular weight (Da) 1316.6

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 Rat Kisspeptin A pKi 10.04 10.04 10.04 ChEMBL
kisspeptin KISSR Human Kisspeptin A pKi 10.11 10.11 10.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
kisspeptin KISSR Rat Kisspeptin A pIC50 9.66 9.66 9.66 ChEMBL
kisspeptin KISSR Human Kisspeptin A pEC50 10.14 10.14 10.14 ChEMBL
kisspeptin KISSR Human Kisspeptin A pIC50 9.72 9.72 9.72 ChEMBL