CHEMBL4114002


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2
InChIKey YSFWOXQJZZJOCO-SDNJBTIHSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 480.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pKi 6.52 6.52 6.52 ChEMBL
δ OPRD Human Opioid A pKi 6.18 6.18 6.18 ChEMBL
κ OPRK Human Opioid A pKi 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 6.49 6.49 6.49 ChEMBL
δ OPRD Human Opioid A pEC50 6.08 6.08 6.08 ChEMBL
κ OPRK Human Opioid A pEC50 6.71 6.71 6.71 ChEMBL