CHEMBL3698771
| SMILES | COc1ccc(NC(=O)c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1 |
| InChIKey | YCHYPRYCRWOSRW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 489.3 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 4.62 | 4.62 | 4.62 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |