CHEMBL474091
| SMILES | CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O |
| InChIKey | AJCMEBINTIHGEB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 425.2 |
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 |
| NOP | OPRX | Human | Opioid | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 4.63 | 4.63 | 4.63 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
| NOP | OPRX | Human | Opioid | A | pKi | 7.08 | 7.08 | 7.08 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 5.64 | 5.64 | 5.64 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |