CHEMBL4109389


SMILES COCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1
InChIKey DEPQWSCKUDWYLQ-UUBLVUCNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 18
Molecular weight (Da) 663.4

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 5.7 5.7 5.7 ChEMBL
κ OPRK Human Opioid A pKi 7.33 7.33 7.33 ChEMBL
μ OPRM Human Opioid A pKi 7.06 7.06 7.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.79 5.79 5.79 ChEMBL