CHEMBL4754111


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 431.2

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 6.69 6.69 6.69 ChEMBL
μ OPRM Rat Opioid A pKi 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.55 8.55 8.55 ChEMBL
κ OPRK Human Opioid A pEC50 6.05 6.05 6.05 ChEMBL
μ OPRM Human Opioid A pEC50 8.36 8.36 8.36 ChEMBL