CHEMBL516187
SMILES | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O |
InChIKey | BEBLFDYTZHKBFQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 494.3 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 7.8 | 7.8 | 7.8 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 5.97 | 5.97 | 5.97 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 7.96 | 7.96 | 7.96 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 6.53 | 6.53 | 6.53 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |