(+)-1-{(1S,2S,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-6,8-diazabicyclo[3.2.2]nonan-8-yl}propan-1-one
SMILES | CCC(=O)N1CC2C(CCC1CN2C(=O)CC3=CC(=C(C=C3)Cl)Cl)N4CCCC4 |
InChIKey | OVUUJSWTQQWBBJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 437.2 |
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 | 6.0 | 6.0 | 6.0 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.0 | 6.23 | 6.92 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 6.0 | 6.05 | 6.19 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |