CHEMBL499169
SMILES | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C |
InChIKey | DWDYTNBJCKOHTA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 592.3 |
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 | 7.92 | 7.92 | 7.92 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.32 | 5.32 | 5.32 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 5.72 | 5.72 | 5.72 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.17 | 6.17 | 6.17 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 7.92 | 7.92 | 7.92 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |