CHEMBL1649939


SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1
InChIKey DFQPGELUWSIWCI-PDHQKIGBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 15
Molecular weight (Da) 683.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pKi 9.44 9.44 9.44 ChEMBL
δ OPRD Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.07 8.07 8.07 ChEMBL
μ OPRM Rat Opioid A pIC50 9.16 9.16 9.16 ChEMBL
μ OPRM Rat Opioid A pEC50 8.72 8.73 8.73 ChEMBL
δ OPRD Human Opioid A pEC50 8.55 8.55 8.55 ChEMBL
δ OPRD Human Opioid A pIC50 8.62 8.62 8.62 ChEMBL