CHEMBL2113299


SMILES COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315
InChIKey PJWLZVHHANRDDX-WJCIMCJESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 545.3

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
δ OPRD Human Opioid A pKi 6.88 6.88 6.88 ChEMBL
κ OPRK Human Opioid A pKi 7.24 7.24 7.24 ChEMBL
μ OPRM Human Opioid A pKi 9.06 9.06 9.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.88 6.88 6.88 ChEMBL
μ OPRM Human Opioid A pEC50 6.67 7.12 7.58 ChEMBL