CHEMBL227333


SMILES O=C(O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
InChIKey YKVYNYOOVAWIKJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 576.2

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
CCK1 CCKAR Human Cholecystokinin A pKi 5.68 5.68 5.68 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 9.48 9.48 9.48 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKd 8.83 8.83 8.83 ChEMBL
CCK2 GASR Dog Cholecystokinin A pKi 8.32 8.32 8.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database