CHEMBL382051


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)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 DWHRPZRXNRDAQF-GEQJWKGNSA-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
CCK2 GASR Human Cholecystokinin A pKi 7.58 7.58 7.58 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 7.01 7.01 7.01 ChEMBL
μ OPRM Rat Opioid A pKi 7.47 7.47 7.47 ChEMBL
δ OPRD Human Opioid A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 7.59 7.59 7.59 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 6.96 6.96 6.97 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.92 7.92 7.92 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 7.01 7.01 7.01 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 6.52 6.53 6.53 ChEMBL
μ OPRM Rat Opioid A pIC50 7.1 7.1 7.1 ChEMBL
μ OPRM Rat Opioid A pEC50 8.84 8.84 8.85 ChEMBL
δ OPRD Human Opioid A pEC50 9.05 9.05 9.05 ChEMBL
δ OPRD Human Opioid A pIC50 9.37 9.37 9.37 ChEMBL