CHEMBL217957


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-RXFVQNAMSA-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 7.15 7.15 7.15 ChEMBL
δ OPRD Human Opioid A pKi 9.2 9.2 9.2 ChEMBL
μ OPRM Rat Opioid A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 6.77 6.77 6.77 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.8 7.8 7.8 ChEMBL
δ OPRD Human Opioid A pEC50 8.23 8.23 8.23 ChEMBL
δ OPRD Human Opioid A pIC50 8.23 8.54 8.86 ChEMBL
μ OPRM Rat Opioid A pEC50 6.2 6.2 6.2 ChEMBL
μ OPRM Rat Opioid A pIC50 6.2 6.56 6.92 ChEMBL