CHEMBL302027


SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O
InChIKey YQQZCZBPEZRSPG-TVRLZWIASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 18
Molecular weight (Da) 816.4

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 Guinea pig Cholecystokinin A pKd 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 4.3 4.3 4.3 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 7.2 7.2 7.2 ChEMBL