CHEMBL4748047


SMILES CO[C@@]12CC[C@H](N[C@H](C(=O)O)C3CCCCC3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey COJPQLLOMWBEEN-OVRAEGQKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 456.3

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
κ OPRK Guinea pig Opioid A pKi 6.75 6.75 6.75 ChEMBL
μ OPRM Rat Opioid A pKi 8.91 8.91 8.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.69 7.69 7.69 ChEMBL
κ OPRK Human Opioid A pEC50 6.6 6.6 6.6 ChEMBL
μ OPRM Human Opioid A pEC50 8.54 8.54 8.54 ChEMBL