7alpha-[(4'-nitrocinnamoyl)-aminomethyl]-6,14-endoethanotetrahydrothebaine


SMILES CN1CCC23C4C5(CCC2(C1CC6=C3C(=C(C=C6)OC)O4)CC5CNC(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-])OC
InChIKey PJWLZVHHANRDDX-UHFFFAOYSA-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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pKi 9.06 9.06 9.06 PDSP Ki database
δ OPRD Human Opioid A pKi 6.88 6.88 6.88 PDSP Ki database
κ OPRK Human Opioid A pKi 7.24 7.24 7.24 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database