CHEMBL3309510


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(C[C@H](CCO)C(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5
InChIKey TWHOEFFOOYPJNA-XXNKRNNASA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 488.2

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
δ OPRD Human Opioid A pKi 8.54 8.54 8.54 ChEMBL
κ OPRK Human Opioid A pKi 7.81 7.81 7.81 ChEMBL
μ OPRM Human Opioid A pKi 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.97 7.97 7.97 ChEMBL
μ OPRM Human Opioid A pEC50 7.02 7.02 7.02 ChEMBL