Chembl272215


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1
InChIKey QEKJEYIXQCJHHA-XGTKUTNFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 514.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 10.0 10.0 10.0 ChEMBL
δ OPRD Human Opioid A pKi 9.0 9.05 9.1 ChEMBL
δ OPRD Human Opioid A pEC50 8.85 8.85 8.85 ChEMBL
κ OPRK Human Opioid A pKi 9.47 9.73 10.0 ChEMBL
κ OPRK Human Opioid A pEC50 9.05 9.05 9.05 ChEMBL
μ OPRM Human Opioid A pKi 9.32 9.66 10.0 ChEMBL
μ OPRM Human Opioid A pEC50 8.64 8.64 8.64 ChEMBL