CHEMBL146756


SMILES O=C(/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey AJIAOWVCYKDFGH-KBJNHENKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 702.4

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 8.03 8.03 8.03 ChEMBL
κ OPRK Human Opioid A pKi 10.1 10.11 10.11 ChEMBL
μ OPRM Human Opioid A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pIC50 5.62 5.62 5.62 ChEMBL
κ OPRK Human Opioid A pEC50 8.37 8.5 8.64 ChEMBL
μ OPRM Human Opioid A pIC50 6.21 6.21 6.21 ChEMBL
μ OPRM Human Opioid A pEC50 8.54 8.54 8.54 ChEMBL