CHEMBL2113308


SMILES CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey JNSXETCCDYBEEE-ODGCDXHBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 531.2

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 8.27 8.27 8.27 ChEMBL
κ OPRK Human Opioid A pKi 8.76 8.76 8.76 ChEMBL
μ OPRM Human Opioid A pKi 9.72 9.72 9.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.13 8.13 8.13 ChEMBL
μ OPRM Human Opioid A pEC50 7.95 8.42 8.89 ChEMBL