CHEMBL237066
| SMILES | NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1 |
| InChIKey | FCDWJNPFPYAKET-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 347.2 |
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 | 7.15 | 7.31 | 7.64 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.87 | 7.16 | 7.74 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.13 | 8.3 | 8.65 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 7.15 | 7.31 | 7.64 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 6.87 | 7.16 | 7.73 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 8.13 | 8.3 | 8.65 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |