CHEMBL326684


SMILES CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5
InChIKey DENICFHULARDRG-WEZQJLTASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 329.2

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
κ OPRK Guinea pig Opioid A pKi 7.6 7.6 7.6 ChEMBL
μ OPRM Rat Opioid A pKi 9.82 10.23 10.64 ChEMBL
δ OPRD Human Opioid A pKi 7.7 7.79 7.88 ChEMBL
κ OPRK Human Opioid A pKi 6.52 7.31 7.82 ChEMBL
μ OPRM Human Opioid A pKi 9.6 10.3 11.0 ChEMBL
δ OPRD Rat Opioid A pKi 7.88 7.88 7.88 PDSP Ki database
μ OPRM Rat Opioid A pKi 9.32 9.72 9.82 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 7.57 7.57 7.57 PDSP Ki database
κ OPRK Rat Opioid A pKi 7.6 7.6 7.6 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.61 7.61 7.61 ChEMBL
μ OPRM Human Opioid A pEC50 8.48 8.48 8.48 ChEMBL