CHEMBL4638693
| SMILES | O=C(Cc1ccccc1)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5 |
| InChIKey | VBTCNZAJBGNMOQ-UJLGHMMASA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 478.2 |
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 | 7.38 | 7.38 | 7.38 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pEC50 | 6.88 | 6.88 | 6.88 | ChEMBL |