Chembl4111124


SMILES COCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey CMUPPNWEXDPPDS-OWDVXBOWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 17
Molecular weight (Da) 633.4

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 7.6 7.6 7.6 ChEMBL
δ OPRD Human Opioid A pEC50 7.24 7.24 7.24 ChEMBL
κ OPRK Human Opioid A pKi 8.59 8.59 8.59 ChEMBL
κ OPRK Human Opioid A pEC50 7.94 7.94 7.94 ChEMBL
μ OPRM Human Opioid A pKi 8.17 8.17 8.17 ChEMBL
μ OPRM Human Opioid A pEC50 7.28 7.28 7.28 ChEMBL