Chembl2113311


SMILES CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey XYKPUZDBFYADTM-BNSXOKBISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 472.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 7.41 7.41 7.41 ChEMBL
κ OPRK Human Opioid A pKi 8.18 8.18 8.18 ChEMBL
κ OPRK Human Opioid A pEC50 8.75 8.75 8.75 ChEMBL
μ OPRM Human Opioid A pKi 9.41 9.41 9.41 ChEMBL
μ OPRM Human Opioid A pEC50 7.58 7.92 8.26 ChEMBL