CHEMBL4757463


SMILES CO[C@@]12CC[C@@H](NCCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey YVIWVBIKSGCPNJ-RERAUARKSA-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 7.15 7.15 7.15 ChEMBL
μ OPRM Rat Opioid A pKi 8.98 8.98 8.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.7 7.7 7.7 ChEMBL
κ OPRK Human Opioid A pEC50 6.21 6.21 6.21 ChEMBL
μ OPRM Human Opioid A pEC50 8.24 8.24 8.24 ChEMBL