CHEMBL218600


SMILES CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey FEOAQCGOOODCEB-YAMJKISESA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 13
Rotatable bonds 28
Molecular weight (Da) 1131.5

Drug properties

Molecular type Small molecule
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 5.96 5.96 5.96 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.89 6.89 6.89 ChEMBL
μ OPRM Rat Opioid A pKi 7.25 7.25 7.25 ChEMBL
δ OPRD Human Opioid A pKi 8.41 8.41 8.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 5.96 5.96 5.96 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.75 7.75 7.75 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.88 6.88 6.88 ChEMBL
μ OPRM Rat Opioid A pEC50 7.77 7.77 7.77 ChEMBL
μ OPRM Rat Opioid A pIC50 6.76 6.82 6.88 ChEMBL
δ OPRD Human Opioid A pEC50 7.89 7.89 7.89 ChEMBL
δ OPRD Human Opioid A pIC50 7.91 7.97 8.04 ChEMBL