CHEMBL3142905


SMILES COC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
InChIKey YJMMQRORYCUFDF-BBACVFHCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 9
Rotatable bonds 21
Molecular weight (Da) 870.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Guinea pig Cholecystokinin A pIC50 7.58 7.7 7.82 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.85 5.92 6.0 ChEMBL