CHEMBL514662
SMILES | CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O |
InChIKey | QDSGWTHAIXUZQT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 474.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 7.89 | 7.89 | 7.89 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
NOP | OPRX | Human | Opioid | A | pKi | 9.22 | 9.22 | 9.22 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |