CHEMBL3143501


SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O
InChIKey JZBWOSXHOVOLBT-ZIZQKJAQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 11
Molecular weight (Da) 710.3

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 7.1 7.1 7.1 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 6.57 6.57 6.57 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pEC50 8.15 8.15 8.15 ChEMBL