CHEMBL6195806


SMILES CCOP(=O)(/C=C/c1nc2c(n([C@H]3C[C@H]4CCC[C@@H](C3)N4[C@H]3C[C@@H]4C[C@@H](C)C[C@@H](C4)C3)c1=O)=CCC=2)OCC
InChIKey FAQBLGWGXUOOGG-LDENTYMASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 555.3

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
NOP OPRX Human Opioid A pKi 8.58 8.58 8.58 ChEMBL
δ OPRD Human Opioid A pKi 5.4 5.4 5.4 ChEMBL
κ OPRK Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
μ OPRM Human Opioid A pKi 7.53 7.53 7.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 8.63 8.63 8.63 ChEMBL
κ OPRK Human Opioid A pEC50 4.7 4.7 4.7 ChEMBL
μ OPRM Human Opioid A pEC50 4.7 4.7 4.7 ChEMBL