CHEMBL584790


SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey JGPNWSPULVHCLC-OCFNPWKVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 15
Molecular weight (Da) 844.6

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 7.82 7.82 7.82 ChEMBL
κ OPRK Human Opioid A pKi 9.33 9.33 9.33 ChEMBL
μ OPRM Human Opioid A pKi 9.33 9.33 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.19 8.19 8.19 ChEMBL
μ OPRM Human Opioid A pIC50 7.09 7.09 7.09 ChEMBL
μ OPRM Human Opioid A pEC50 7.96 7.96 7.96 ChEMBL