CHEMBL238017


SMILES CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey KVRXULLNGOYSQO-XOWRYXAESA-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 7.55 7.55 7.55 ChEMBL
κ OPRK Human Opioid A pKi 7.19 7.19 7.19 ChEMBL
μ OPRM Human Opioid A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL
κ OPRK Human Opioid A pEC50 6.68 6.68 6.68 ChEMBL
μ OPRM Human Opioid A pEC50 7.82 7.82 7.82 ChEMBL