CHEMBL4530500


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1[N+](=O)[O-]
InChIKey XTJYQGUVQMWMBO-VWGUVZQXSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 492.2

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 8.35 8.35 8.35 ChEMBL
μ OPRM Mouse Opioid A pKi 9.77 9.77 9.77 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
μ OPRM Mouse Opioid A pEC50 9.28 9.28 9.28 ChEMBL