CHEMBL413512


SMILES O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
InChIKey DIXHMXZSDRJNLS-UBCRSLPBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 676.4

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
δ OPRD Human Opioid A pKi 8.42 8.42 8.42 ChEMBL
κ OPRK Human Opioid A pKi 10.0 10.0 10.0 ChEMBL
μ OPRM Human Opioid A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.48 8.48 8.48 ChEMBL
μ OPRM Human Opioid A pIC50 8.74 8.74 8.74 ChEMBL