CHEMBL2113672


SMILES CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5
InChIKey CPYPBXTZJKPBSH-DBEKVCBCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 459.2

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 8.34 8.34 8.34 ChEMBL
κ OPRK Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
μ OPRM Human Opioid A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.71 7.71 7.71 ChEMBL
κ OPRK Human Opioid A pEC50 9.1 9.1 9.1 ChEMBL
μ OPRM Human Opioid A pEC50 8.74 8.74 8.74 ChEMBL