CHEMBL4782629


SMILES CO[C@@]12CC[C@@H](N[C@H](C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey UMHAMCDXTRRVPX-SCROIHAFSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 416.2

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 6.52 6.52 6.52 ChEMBL
μ OPRM Rat Opioid A pKi 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.24 8.24 8.24 ChEMBL
κ OPRK Human Opioid A pEC50 5.95 5.95 5.95 ChEMBL
μ OPRM Human Opioid A pEC50 7.93 7.93 7.93 ChEMBL