CHEMBL3754431
| SMILES | CCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@H]2NC(C)=O)c1ccccc1 |
| InChIKey | HSRRGOPJZKFMKY-ZCJYOONXSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 447.3 |
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 |
| μ | OPRM | Rat | Opioid | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Rat | Opioid | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 4.87 | 4.87 | 4.87 | ChEMBL |