CHEMBL409458


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1
InChIKey TXKIESIEWNDVGJ-XGTKUTNFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 480.2

Drug properties

Molecular type Small molecule
Physiological/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 8.59 8.72 8.85 ChEMBL
κ OPRK Human Opioid A pKi 9.43 9.54 9.64 ChEMBL
μ OPRM Human Opioid A pKi 9.21 9.76 10.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL
δ OPRD Human Opioid A pEC50 7.38 7.38 7.38 ChEMBL
κ OPRK Human Opioid A pEC50 8.15 8.15 8.15 ChEMBL
μ OPRM Human Opioid A pEC50 8.17 8.17 8.17 ChEMBL