CHEMBL208479


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

Chemical properties

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

Drug properties

Molecular type Protein
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pKi 8.02 8.02 8.02 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 7.82 7.82 7.82 ChEMBL
δ OPRD Human Opioid A pKi 8.59 8.59 8.59 ChEMBL
μ OPRM Rat Opioid A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pIC50 8.02 8.02 8.02 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 5.6 5.6 5.6 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 5.72 5.72 5.72 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.82 7.82 7.82 ChEMBL
δ OPRD Human Opioid A pEC50 8.35 8.35 8.35 ChEMBL
δ OPRD Human Opioid A pIC50 8.22 8.22 8.22 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.64 7.64 7.64 ChEMBL
μ OPRM Rat Opioid A pEC50 9.34 9.34 9.34 ChEMBL
μ OPRM Rat Opioid A pIC50 7.22 7.22 7.22 ChEMBL