CHEMBL3614082
| SMILES | CCC(=O)N(CC1CCN(Cc2ccc3c(c2)CCC[C@H]3N)CC1)c1ccccc1 |
| InChIKey | PWUFZWNSZQVLFV-RUZDIDTESA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 405.3 |
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 | 5.22 | 5.22 | 5.22 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pIC50 | 4.71 | 7.13 | 9.56 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |