CHEMBL4788003


SMILES CO[C@@]12CC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey FPAJEPLZUWCXEI-PGNOFCDOSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 503.2

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
κ OPRK Guinea pig Opioid A pKi 8.06 8.06 8.06 ChEMBL
μ OPRM Rat Opioid A pKi 9.19 9.19 9.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.66 8.66 8.66 ChEMBL
κ OPRK Human Opioid A pEC50 6.74 6.74 6.74 ChEMBL
μ OPRM Human Opioid A pEC50 8.79 8.79 8.79 ChEMBL