CHEMBL408389


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey RGJCMCCPAYOLOE-ZLRGZLRMSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 13
Rotatable bonds 26
Molecular weight (Da) 1259.6

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 6.7 6.7 6.7 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 5.54 5.54 5.54 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 8.19 8.19 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pEC50 7.77 7.77 7.77 ChEMBL