CHEMBL4106487


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey IFEHHNGEBPOACA-LDGIGSNBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 504.3

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 4.97 4.97 4.97 ChEMBL
κ OPRK Human Opioid A pKi 7.79 7.79 7.79 ChEMBL
μ OPRM Human Opioid A pKi 6.75 6.75 6.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.73 6.73 6.73 ChEMBL
μ OPRM Human Opioid A pEC50 6.06 6.06 6.06 ChEMBL