CHEMBL407057


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](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O
InChIKey IJHCWGDIGBABKC-GDHOWUIUSA-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 8.68 8.68 8.68 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.5 5.5 5.5 ChEMBL
μ OPRM Rat Opioid A pKi 5.28 5.28 5.28 ChEMBL
δ OPRD Human Opioid A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.54 7.54 7.54 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.67 8.88 9.1 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 4.71 4.71 4.71 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.5 5.5 5.5 ChEMBL
μ OPRM Rat Opioid A pIC50 4.94 4.94 4.94 ChEMBL
μ OPRM Rat Opioid A pEC50 7.09 7.09 7.09 ChEMBL
δ OPRD Human Opioid A pIC50 6.26 6.9 7.54 ChEMBL
δ OPRD Human Opioid A pEC50 6.96 6.97 6.98 ChEMBL