CHEMBL3314226


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(=O)C1CC1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey ROUIGZVDXBTXSV-XKULFVCRSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 19
Rotatable bonds 34
Molecular weight (Da) 1323.7

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 10.06 10.06 10.06 ChEMBL
kisspeptin KISSR Human Kisspeptin A pKi 10.47 10.47 10.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
kisspeptin KISSR Rat Kisspeptin A pEC50 8.38 8.38 8.38 ChEMBL
kisspeptin KISSR Human Kisspeptin A pEC50 9.09 9.09 9.09 ChEMBL