CHEMBL197780


SMILES Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1
InChIKey XVPUHDXGAHGMAZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 513.3

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
CCK2 GASR Rat Cholecystokinin A pKd 7.87 7.87 7.87 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pKi 7.86 7.86 7.86 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 6.27 6.27 6.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Dog Cholecystokinin A pIC50 7.2 7.2 7.2 ChEMBL