CHEMBL5208385


SMILES O=C(N[C@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2)c1ccccc1
InChIKey XRFAVQCUBSYAIS-WUCHXUMNSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 444.2

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
δ OPRD Human Opioid A pKi 8.25 8.25 8.25 ChEMBL
κ OPRK Human Opioid A pKi 7.97 7.97 7.97 ChEMBL
μ OPRM Human Opioid A pKi 9.25 9.25 9.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.29 7.29 7.29 ChEMBL
κ OPRK Human Opioid A pEC50 7.49 7.49 7.49 ChEMBL