CHEMBL382349


SMILES CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey LFIFGNCFEBAIHA-XSAWFYHVSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pKi 8.8 8.8 8.8 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.29 5.29 5.29 ChEMBL
μ OPRM Rat Opioid A pKi 7.41 7.41 7.41 ChEMBL
δ OPRD Human Opioid A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.18 7.18 7.18 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.79 8.79 8.79 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 8.34 8.34 8.34 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.29 5.29 5.29 ChEMBL
μ OPRM Rat Opioid A pEC50 7.75 7.75 7.75 ChEMBL
μ OPRM Rat Opioid A pIC50 7.05 7.05 7.05 ChEMBL
δ OPRD Human Opioid A pEC50 6.92 6.93 6.94 ChEMBL
δ OPRD Human Opioid A pIC50 8.28 8.28 8.28 ChEMBL