CHEMBL235239


SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey ILSVNVUECQFENV-JHKYCETMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 387.2

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 6.92 6.92 6.92 ChEMBL
κ OPRK Human Opioid A pKi 6.64 6.64 6.64 ChEMBL
μ OPRM Human Opioid A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.24 7.24 7.24 ChEMBL
κ OPRK Human Opioid A pEC50 6.14 6.14 6.14 ChEMBL
μ OPRM Human Opioid A pEC50 7.92 7.92 7.92 ChEMBL