CHEMBL291033


SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1
InChIKey RGFJPHVCLXSEHE-QYEPPTMMSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 499.3

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 Human Cholecystokinin A pKi 7.06 7.06 7.06 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 5.72 5.72 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Mouse Cholecystokinin A pIC50 6.19 6.83 7.32 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.21 6.64 7.5 ChEMBL