CHEMBL408083


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](CCCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey KJQHRGYUFQCLJG-KOPATMAISA-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 5.96 5.96 5.96 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.04 6.04 6.04 ChEMBL
μ OPRM Rat Opioid A pKi 5.92 5.92 5.92 ChEMBL
δ OPRD Human Opioid A pKi 6.51 6.51 6.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.16 6.16 6.16 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.96 5.96 5.96 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.04 5.04 5.04 ChEMBL
μ OPRM Rat Opioid A pEC50 6.6 6.6 6.6 ChEMBL
μ OPRM Rat Opioid A pIC50 5.54 5.54 5.54 ChEMBL
δ OPRD Human Opioid A pIC50 6.14 6.14 6.14 ChEMBL