CHEMBL227330


SMILES O=C(O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
InChIKey NNOLAMDMDMSDDD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 558.3

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
CCK1 CCKAR Human Cholecystokinin A pKi 5.6 5.6 5.6 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 9.47 9.47 9.47 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKd 8.91 8.91 8.91 ChEMBL
CCK2 GASR Dog Cholecystokinin A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database