CHEMBL2112635


SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey JUBPZDPAPFCWGE-LTDQXZOTSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 11
Rotatable bonds 25
Molecular weight (Da) 1006.4

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
CCK2 GASR Bovine Cholecystokinin A pIC50 8.47 8.47 8.47 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.79 6.79 6.79 ChEMBL