CARBOXYFENTANYL
| SMILES | O=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 |
| InChIKey | MEVFKTVEGJUHHI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 380.2 |
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 |
| μ | OPRM | Rat | Opioid | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.03 | 5.03 | 5.03 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Rat | Opioid | A | pIC50 | 4.93 | 5.1 | 5.27 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 4.7 | 4.87 | 5.03 | ChEMBL |