CHEMBL4776879


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 388.2

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 6.74 6.74 6.74 ChEMBL
μ OPRM Rat Opioid A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.02 7.02 7.02 ChEMBL
κ OPRK Human Opioid A pEC50 6.73 6.73 6.73 ChEMBL
μ OPRM Human Opioid A pEC50 8.45 8.45 8.45 ChEMBL