CHEMBL289021


SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)O
InChIKey SIHQTWQYBHVGEP-VGIXQKKKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 653.2

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
CCK2 GASR Rat Cholecystokinin A pKi 7.82 7.82 7.82 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pIC50 7.43 7.43 7.43 ChEMBL