CHEMBL3314213


SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey PEDMNIAKRCFYLV-AOQRXVJDSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 16
Rotatable bonds 30
Molecular weight (Da) 1213.6

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 10.02 10.02 10.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
kisspeptin KISSR Human Kisspeptin A pEC50 8.92 8.92 8.92 ChEMBL
kisspeptin KISSR Rat Kisspeptin A pEC50 7.89 7.89 7.89 ChEMBL