CHEMBL2387339


SMILES CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIKey QABZKUPOTSMQRW-CSYVQODNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 23
Molecular weight (Da) 902.5

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 9.37 9.37 9.37 ChEMBL
δ OPRD Human Opioid A pKi 8.55 8.55 8.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.66 7.66 7.66 ChEMBL
μ OPRM Rat Opioid A pEC50 7.46 7.46 7.46 ChEMBL
δ OPRD Human Opioid A pEC50 8.24 8.24 8.24 ChEMBL