CHEMBL4111224


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey FAHOTOBTELSIEH-VTPACTEHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 505.3

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 7.49 7.49 7.49 ChEMBL
κ OPRK Human Opioid A pKi 9.34 9.34 9.34 ChEMBL
μ OPRM Human Opioid A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.65 7.65 7.65 ChEMBL
κ OPRK Human Opioid A pEC50 8.4 8.4 8.4 ChEMBL
μ OPRM Human Opioid A pEC50 7.74 7.74 7.74 ChEMBL