CHEMBL4793888


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 445.3

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 7.9 7.9 7.9 ChEMBL
μ OPRM Rat Opioid A pKi 9.72 9.72 9.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.82 6.82 6.82 ChEMBL
κ OPRK Human Opioid A pEC50 6.93 6.93 6.93 ChEMBL
μ OPRM Human Opioid A pEC50 8.65 8.65 8.65 ChEMBL