CHEMBL169552


SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5
InChIKey APFIBTMKZJWVHH-LKUYZAFPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 427.3

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 8.96 8.96 8.96 ChEMBL
κ OPRK Human Opioid A pKi 8.62 8.62 8.62 ChEMBL
μ OPRM Human Opioid A pKi 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.3 8.3 8.3 ChEMBL
κ OPRK Human Opioid A pEC50 8.62 8.62 8.62 ChEMBL
μ OPRM Human Opioid A pEC50 8.92 8.92 8.92 ChEMBL