CHEMBL4763225


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 445.2

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 6.54 6.54 6.54 ChEMBL
μ OPRM Rat Opioid A pKi 8.61 8.61 8.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.4 8.4 8.4 ChEMBL
κ OPRK Human Opioid A pEC50 5.85 5.85 5.85 ChEMBL
μ OPRM Human Opioid A pEC50 8.02 8.02 8.02 ChEMBL