CHEMBL379405


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-KCTXSUAESA-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 5.77 5.77 5.77 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.7 5.7 5.7 ChEMBL
μ OPRM Rat Opioid A pKi 6.52 6.52 6.52 ChEMBL
δ OPRD Human Opioid A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 5.76 5.76 5.76 ChEMBL
δ OPRD Mouse Opioid A pIC50 6.77 6.77 6.77 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.71 5.71 5.71 ChEMBL
μ OPRM Rat Opioid A pEC50 7.34 7.34 7.35 ChEMBL
μ OPRM Rat Opioid A pIC50 6.15 6.15 6.15 ChEMBL
δ OPRD Human Opioid A pIC50 6.4 6.4 6.4 ChEMBL
δ OPRD Human Opioid A pEC50 6.89 6.89 6.89 ChEMBL