CHEMBL206974


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-JCOUAQLOSA-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 8.82 8.86 8.89 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.5 7.0 7.5 ChEMBL
μ OPRM Rat Opioid A pKi 7.66 7.66 7.66 ChEMBL
δ OPRD Human Opioid A pKi 8.72 8.77 8.82 ChEMBL
μ OPRM Human Opioid A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.2 7.2 7.2 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.81 8.81 8.81 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 8.18 8.18 8.18 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.5 6.5 6.5 ChEMBL
μ OPRM Rat Opioid A pEC50 7.42 7.42 7.42 ChEMBL
μ OPRM Rat Opioid A pIC50 7.3 7.3 7.3 ChEMBL
δ OPRD Human Opioid A pIC50 8.46 8.46 8.46 ChEMBL
δ OPRD Human Opioid A pEC50 7.64 7.64 7.64 ChEMBL