CHEMBL2079547


SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey ILOSQOBMIQVKSA-WYLITWLFSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 29
Molecular weight (Da) 1041.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Bovine Cholecystokinin A pIC50 7.12 7.12 7.12 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.92 6.92 6.92 ChEMBL