CHEMBL99939


SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O
InChIKey LZZPPPZINPSHEI-VQCFNYAOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 591.3

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 pKi 7.68 7.71 7.74 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pKi 7.67 7.77 7.87 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 5.95 5.96 5.97 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 5.87 5.89 5.91 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 8.19 8.2 8.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database