CHEMBL443326


SMILES O=C(Cc1cccs1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey WRHNLIOZZWRRPX-HFXSLSFNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 466.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pKi 8.79 8.79 8.79 ChEMBL
μ OPRM Mouse Opioid A pKi 9.62 9.62 9.62 ChEMBL
δ OPRD Human Opioid A pKi 7.19 7.34 7.49 ChEMBL
κ OPRK Human Opioid A pKi 8.92 8.92 8.92 ChEMBL
μ OPRM Human Opioid A pKd 9.34 9.34 9.34 ChEMBL
μ OPRM Human Opioid A pKi 9.37 9.37 9.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 8.94 8.94 8.94 ChEMBL