CHEMBL3314222


SMILES CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey ZONABCAFAASFGI-JDYXPTCVSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 18
Rotatable bonds 31
Molecular weight (Da) 1212.6

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 9.08 9.08 9.08 ChEMBL
kisspeptin KISSR Human Kisspeptin A pKi 9.92 9.92 9.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
kisspeptin KISSR Rat Kisspeptin A pEC50 8.55 8.55 8.55 ChEMBL
kisspeptin KISSR Human Kisspeptin A pEC50 9.19 9.19 9.19 ChEMBL