JDTic


SMILES Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O
InChIKey ZLVXBBHTMQJRSX-VMGNSXQWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 465.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4DJH 6VI4

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 9.0 10.21 9.4 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 9.49 9.49 9.49 ChEMBL
κ OPRK Guinea pig Opioid A pKi 9.49 10.09 10.7 ChEMBL
μ OPRM Rat Opioid A pKi 8.43 8.51 8.67 ChEMBL
δ OPRD Human Opioid A pKi 6.73 7.23 7.53 ChEMBL
κ OPRK Human Opioid A pKi 9.39 10.29 11.0 ChEMBL
κ OPRK Human Opioid A pKd 10.46 10.46 10.46 ChEMBL
μ OPRM Human Opioid A pKi 7.94 8.45 9.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.42 6.42 6.42 ChEMBL
κ OPRK Human Opioid A pEC50 8.22 8.22 8.22 ChEMBL
μ OPRM Human Opioid A pEC50 6.92 6.92 6.92 ChEMBL