CHEMBL2113301


SMILES COc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5
InChIKey DJZCBLWYODYYBU-NXBHRNTPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 530.3

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
κ OPRK Human Opioid A pKi 7.35 7.35 7.35 ChEMBL
μ OPRM Human Opioid A pKi 8.7 8.7 8.7 ChEMBL
δ OPRD Human Opioid A pKi 7.06 7.06 7.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.8 6.8 6.8 ChEMBL
μ OPRM Human Opioid A pEC50 6.79 7.36 7.93 ChEMBL