CHEMBL218651


SMILES CCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)Cc1ccccc1)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 KYWMQIRORZGHDH-KKSWQRHZSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 27
Molecular weight (Da) 1031.5

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
CCK1 CCKAR Human Cholecystokinin A pKi 5.72 5.72 5.72 ChEMBL
μ OPRM Rat Opioid A pKi 8.47 8.47 8.47 ChEMBL
δ OPRD Human Opioid A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 4.87 4.87 4.87 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.6 7.6 7.6 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.72 5.72 5.72 ChEMBL
μ OPRM Rat Opioid A pEC50 8.11 8.11 8.11 ChEMBL
μ OPRM Rat Opioid A pIC50 8.1 8.11 8.11 ChEMBL
δ OPRD Human Opioid A pEC50 7.82 7.82 7.82 ChEMBL
δ OPRD Human Opioid A pIC50 7.83 8.06 8.29 ChEMBL