CHEMBL3401554


SMILES O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2cc([N+](=O)[O-])ccc2cn1
InChIKey XIIVDDDMNYXPRO-YSAQZOOCSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 542.2

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
κ OPRK Mouse Opioid A pKi 7.55 7.55 7.55 ChEMBL
μ OPRM Mouse Opioid A pKi 8.24 8.24 8.24 ChEMBL
δ OPRD Mouse Opioid A pKi 7.02 7.02 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pEC50 7.2 7.2 7.2 ChEMBL
μ OPRM Mouse Opioid A pEC50 7.5 7.5 7.5 ChEMBL
δ OPRD Mouse Opioid A pEC50 6.97 6.97 6.97 ChEMBL
μ OPRM Human Opioid A pIC50 5.56 5.56 5.56 ChEMBL